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Conjugated Conducting Polymers pp 7–133Cite as

An Overview of the Theory of π-Conjugated Polymers

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Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 102))

Abstract

We review recent advances in the theoretical modelling of π-conjugated polymers. Our emphasis is on quasi-one-dimensional π-electron models that include both electron-phonon and electron-electron interactions. We use the widely studied Peierls-Hubbard Hamiltonian as a prototype model, since this contains both the pure electron-phonon (Hückel and SSH) limits and the pure electron-electron (Hubbard and PPP) limits. We attempt to present an integrated perspective by explaining the essential concepts in both chemical language (valence bonds, resonance, bond alternation defects, etc.) and solid-state physics terms (band structure, localized states, broken symmetry, solitons). We argue that modelling π-conjugated polymers is a true many-electron problem requiring advanced techniques that give reliable answers to precise questions, especially for excited states. Among the techniques we discuss are mean-field, perturbative, and variational approximations for infinite polymer chains and (numerically) exact computations (Lanczos and quantum Monte Carlo methods) for finite chains (oligomers). We compare critically the theoretical results obtained by these various methods with experimental observations, in particular with optical spectroscopy and nuclear magnetic resonance, both for the archetypal π-conjugated system polyacetylene and for other conjugated polymers including polydiacetylenes and polythiophene. Our goal is to find a model consistent with the broad range of experimental data. This analysis establishes that electron-phonon and electron-electron interactions are likely to be of equal importance in determining the properties of these materials. Hence neither the Hückel/SSH nor the PPP/Hubbard models are sufficient for a complete description of the observed behaviour of π-conjugated polymers. We add an analysis of factors that go beyond the idealized models, including disorder, inter-chain coupling and quantum lattice fluctuations, and conclude with a brief discussion of the dopinginduced insulator-metal transition and of the possible mechanisms of charge transport.

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References

  1. S.A. Brazovskii, N.N. Kirova: Electron self localization and periodic superstructures in quasi-one-dimensional dielectrics. Sov. Sci. Rev. A, Phys. 5, 99–264 (1984)

    Google Scholar 

  2. D. Baeriswyl: “Theroretical Aspects of Conducting Polymers: Electronic Structure and Defect States” in Theoretical Aspects of Band Structures and Electronic Properties of Pseudo-One-Dimensional Solids, ed. by R.H. Kamimura (Reidel, Dordrecht, Holland 1985) pp. 1–48

    Google Scholar 

  3. J.L. Brédas, G.B. Street: Polarons, bipolarons and solitons in conducting polymers. Acc. Chem. Res. 18, 309 (1985)

    Google Scholar 

  4. R. Silbey: “Electronic Structure of Conducting Polymers” in Polydiacetylenes ed. by D. Bloor, R.R. Chance NATO ASI Series E: Applied Sciences, Vol.102 (Nijhoff, Dordrecht 1985) pp.93–104

    Google Scholar 

  5. S. Kivelson: “Soliton Model of Polyacetylene” in Solitons, ed. by S. Trullinger, V. Zakharov, V.L. Pokrovsky, Modern Problems in Condensed Matter Sciences, Vol. 17 (North-Holland, Amsterdam 1986) pp.301–388

    Google Scholar 

  6. D.K. Campbell, A.R. Bishop, M.J. Rice: “The Field Theory Perspective on Conducting Polymers” in Handbook of Conducting Polymers, ed. by T. Skotheim (Dekker, New York 1986) pp.937–966

    Google Scholar 

  7. R.R. Chance, D.S. Boudreaux, J.L. Brédas, R. Silbey: “Solitons, Polarons, and Bipolarons in Conjugated Polymers” in Handbook of Conducting Polymers, ed. by T. Skotheim (Dekker, New York 1986) pp.825–857

    Google Scholar 

  8. J.L. Brédas: “Electronic Structure of Highly Conducting Polymers” in Handbook of Conducting Polymers, ed. by T. Skotheim (Dekker, New York 1986) pp.859–914

    Google Scholar 

  9. A.A. Ovchinnikov, I.I. Ukrainskii: Electronic processes in quasi-one-dimensional systems: conjugated polymers and donor-acceptor molecular crystals. Sov. Sci. Rev. B, Chem. 9, 125–207 (1987)

    Google Scholar 

  10. A.J. Heeger, S. Kivelson, J.R. Schrieffer, W.P. Su: Solitons in conducting polymers. Rev. Mod. Phys. 60, 781–850 (1988)

    ADS  Google Scholar 

  11. L. Yu: Solitons and Polarons in Conducting Polymers (World Scientific, Singapore 1988)

    Google Scholar 

  12. Z.G. Soos, G.W. Hayden: “Excited States of Conjugated Polymers” in Electrores-ponsive Molecular and Polymeric Systems, ed. by T.A. Skotheim (Dekker, New York 1988) pp. 197–266

    Google Scholar 

  13. D.D.C. Bradley: Precursor-route poly(p-phenylenevinyline): polymer characterization and control of electronic properties. J. Phys. D 20, 1389–1410 (1987)

    MathSciNet  ADS  Google Scholar 

  14. L. Salem: Molecular Orbital Theory of Conjugated Systems (Benjamin, London 1966)

    Google Scholar 

  15. S. Suhai: A priori electronic structure calculations on highly conducting polymers. I. Hartree-Fock studies on cis- and trans-polyacetylene (polyenes). J. Chem. Phys. 73, 3843 (1980)

    ADS  Google Scholar 

  16. M. Kertesz: Electronic structure of polymers. Adv. Quantum Chem. 15, 161–214(1982)

    ADS  Google Scholar 

  17. A Karpfen: “Ab initio Studies on Polyynes and Polydiacetylenes: Structure and Harmonic Force Fields” in Polydiacetylenes, ed. by D. Bloor, R.R. Chance, NATO ASI Series E: Applied Sciences, Vol. 102 (Nijhoff, Dordrecht 1985) pp. 115–124

    Google Scholar 

  18. M. Kertesz, Y.-S. Lee: Electronic structure of small gap polymers. Synth. Met. 28, C545–C552(1989)

    Google Scholar 

  19. M.J.S. Dewar, W. Thiel: Ground states of molecules 38. The MNDO method approximations and parameters: J. Am. Chem. Soc. 99, 4899–4907 (1977)

    Google Scholar 

  20. M.J.S. Dewar, W. Thiel: Ground states of molecules 39. MNDO Results for molecules containing hydrogen, carbon, nitrogen and oxygen. J. Am. Chem. Soc. 99,4907–4917(1977)

    Google Scholar 

  21. D.S. Boudreaux, R.R. Chance, J.L. Brédas, R. Silbey: Solitons and polarons in polyacetylene: self-consistent-field calculations of the effect of neutral and charged defects on molecular geometry. Phys. Rev. 28, 6927–6936 (1983)

    ADS  Google Scholar 

  22. S. Suhai: Quasiparticle energy band structures in semiconducting polymers: correlation effects on the band gap in polyacetylene. Phys. Rev. B 27, 3506–3518(1983)

    ADS  Google Scholar 

  23. S. Suhai: Perturbation theoretical investigation of electron correlation effects in infinite metallic and semiconducting polymers. Int. J. Quantum Chem. 23, 1239–1256(1983)

    Google Scholar 

  24. S. Suhai: Bond alternation in infinite polyene: Peierls distortion reduced by electron correlation. Chem. Phys. Lett. 96, 619–625 (1983)

    ADS  Google Scholar 

  25. P. Hohenberg, W. Kohn: Inhomogeneous electron gas. Phys. Rev. 136, B864–B871 (1964)

    MathSciNet  ADS  Google Scholar 

  26. W. Kohn, L.J. Sham: Self-consistent equations including exchange and correlation effects. Phys. Rev. 140, A1133–A1138 (1965)

    MathSciNet  ADS  Google Scholar 

  27. R.O. Jones, O. Gunnarsson: The density functional formalism, its applications and prospects. Rev. Mod. Phys. 61, 689 (1989)

    ADS  Google Scholar 

  28. P.M. Grant, I.P. Batra: Band structure of polyacetylene, (CH)x. Solid State Commun. 29, 225–229 (1979)

    ADS  Google Scholar 

  29. P.M. Grant, I.P. Batra: Electronic structure of conducting π-electron systems. Synth. Met. 1, 193–212 (1979/80)

    Google Scholar 

  30. P.M. Grant, I.P. Batra: Self-consistent crystal potential and band structure of three dimensional trans-polyacetylene. J. Physique 44, C3, 437–442 (1983)

    Google Scholar 

  31. J.W. Mintmire, C.T. White: Xα approach for the determination of electronic and geometric structure of polyacetylene and other chain polymers. Phys. Rev. Lett. 50, 101–105(1983)

    ADS  Google Scholar 

  32. J. Ashkenazi, E. Ehrenfreund, Z. Vardeny, O. Brafman: First principles three-dimensional band structure of trans-polyacetylene. Mol. Cryst. Liq. Cryst. 117, 193 (1985)

    Google Scholar 

  33. J. Ashkenazi, W.E. Pickett, B.M. Klein, H. Krakauer, C.S. Wang: First principles investigation on the validity of Peierls mechanism for the dimerization energy of trans-polyacetylene. Synth. Met 21, 301 (1987)

    Google Scholar 

  34. J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang, B.M. Klein, S.R. Chubb: Ground state of trans-polyacetylene and the Peierls mechanism. Phys. Rev. Lett. 62, 2016–2019 (1989)

    ADS  Google Scholar 

  35. M. Springborg: Self-consistent electronic structure of polyacetylene. Phys. Rev. B 33, 8475 (1986)

    ADS  Google Scholar 

  36. P. Vogl, D.K. Campbell, O.F. Sankey: Theory of 3-D structure and intrinsic defects of trans-polyacetylene. Synth. Met. 28, D513–D520 (1989)

    Google Scholar 

  37. P. Vogl, D.K. Campbell: Three-dimensional structure and intrinsic defects in trans-polyacetylene. Phys. Rev. Lett. 62, 2012–2015 (1989)

    ADS  Google Scholar 

  38. T. von Koopmans: Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den einzelnen Elektronen eines Atoms. Physica 1, 104–113 (1933)

    ADS  MATH  Google Scholar 

  39. C.-O. Almbladh, U. von Barth: Exact results for the charge and spin densities, exchange-correlation potentials and density-functional eigenvalues. Phys. Rev. B 31,3231 (1985)

    ADS  Google Scholar 

  40. G. Nicolas, Ph. Durand: A new general methodology for deriving transferable atomic potentials in molecules. J. Chem. Phys. 70, 2020–2021 (1979)

    ADS  Google Scholar 

  41. A. Painelli, A. Girlando: Hubbard models and their applicability in solid state and molecular physics. Solid State Commun. 66, 273–275 (1988)

    ADS  Google Scholar 

  42. A. Painelli, A. Girlando: Interacting electrons in 1D: applicability of Hubbard models. Synth. Met. 27, A15–A20 (1988)

    Google Scholar 

  43. R.G. Parr, D.P. Craig, I.G. Ross: Molecular orbital calculations of the lower excited electronic levels of benzene, configuration interaction included. J. Chem. Phys. 18, 1561–1563(1950)

    ADS  Google Scholar 

  44. R.G. Parr: A method for estimating electronic repulsion integrals over LCAO MO’s in complex unsaturated molecules. J. Chem. Phys. 20, 1499 (1952)

    ADS  Google Scholar 

  45. R. Pariser, R.G. Parr: A semi-empirical theory of the electronic spectra and electronic structure of complex unsaturated molecules II. J. Chem. Phys. 21, 767–776(1953)

    ADS  Google Scholar 

  46. J.A. Pople: Electron interaction in unsaturated hydrocarbons. Trans. Faraday Soc. 49, 1375–1385(1953)

    Google Scholar 

  47. J. Hubbard: Electron correlations in narrow energy bands. Proc. R. Soc. London, A 276, 238(1963)

    ADS  Google Scholar 

  48. S. Kivelson, W.P. Su, J.C. Schrieffer, A.J. Heeger: Missing bond charge repulsion in the extended Hubbard model: effects in polyacetylene. Phys. Rev. Lett. 58, 1899–1902(1987)

    ADS  Google Scholar 

  49. D. Baeriswyl, P. Horsch, K. Maki: Missing bond-charge repulsion. Phys. Rev. Lett. 60, 70(1988)

    ADS  Google Scholar 

  50. J.T. Gammel, D.K. Campbell: Comment on the missing bond-charge repulsion in the extended Hubbard model. Phys. Rev. Lett. 60, 71 (1988)

    ADS  Google Scholar 

  51. D.K. Campbell, J.T. Gammel, E.Y. Loh, Jr.: The extended Peierls-Hubbard model: off diagonal terms. Synth. Met. 27, A9–A14 (1988)

    Google Scholar 

  52. D.K. Campbell, J.T. Gammel, E.Y. Loh, Jr.: Bond-charge Coulomb repulsion in Peierls-Hubbard models. Phys. Rev. B 38, 12043–12046 (1988)

    ADS  Google Scholar 

  53. E. Hückel: Quantentheoretische Beiträge zum Benzolproblem. I. Die Elektronenkonfiguration des Benzols und verwandter Verbindungen. Z. Phys. 70, 204–286 (1931)

    ADS  MATH  Google Scholar 

  54. E. Hückel: Quantentheoretische Beiträge zum Problem der aromatischen und ungesättigten Verbindungen III. Z. Phys. 76, 628–648 (1932)

    ADS  MATH  Google Scholar 

  55. J.A. Pople, S.H. Walmsley: Bond alternation defects in long polyene molecules. Mol. Phys. 5, 15–20(1962)

    ADS  Google Scholar 

  56. M. Nechtschein: Sur la nature des centres paramagnétiques détectés par RPE dans les polymères conjugués. J. Polym. Sci. C 4, 1367–1376 (1963)

    Google Scholar 

  57. W.-P. Su, J.R. Schrieffer, A.J. Heeger: Solitons in polyacetylene. Phys. Rev. Lett. 42, 1698–1701 (1979)

    ADS  Google Scholar 

  58. W.-P. Su, J.R. Schrieffer, A.J. Heeger: Soliton excitations in polyacetylene. Phys. Rev. B 22, 2099–2111 (1980); Erratum ibid. 28, 1138 (1983)

    ADS  Google Scholar 

  59. R. Saito, H. Kamimura: Vibronic states of polyacetylene, (CH)x. J. Phys. Soc. Jpn. 52, 407–416(1983)

    ADS  Google Scholar 

  60. S. Ramasesha, Z.G. Soos: Optical excitations of even and odd polyenes with molecular PPP correlations. Synth. Met. 9, 283–294 (1984)

    Google Scholar 

  61. S. Ramasesha, Z.G. Soos: Correlated states in linear polyenes, radicals and ions: exact PPP transition moments and spin densities. J. Chem. Phys. 80, 3278–3287 (1984)

    ADS  Google Scholar 

  62. K. Ohno: Some remarks on the Pariser-Parr-Pople method. Theor. Chim. Acta 2,219(1964)

    Google Scholar 

  63. N. Mataga, K. Nishimoto: Electronic structure and spectra of nitrogen heterocycles. Z. Physik. Chemie 13, 140–157 (1957)

    Google Scholar 

  64. M.W. Hanna, A.D. McLachlan, H.H. Dearman, H.M. McConnell: Radiation damage in organic crystals III. Long polyene radicals. J. Chem. Phys. 37, 361–367(1962)

    ADS  Google Scholar 

  65. M.W. Hanna, A.D. McLachlan, H.H. Dearman, H.M. McConnell: Erratum and further comments: radiation damage in organic crystals. III. Long polyene radicals. J. Chem. Phys. 37, 3008 (1962)

    ADS  Google Scholar 

  66. H.C. Longuet-Higgins, L. Salem: The alternation of bond lengths in long conjugated chain molecules. Proc. R. Soc. London A 251, 172–185 (1959)

    ADS  Google Scholar 

  67. R.E. Peierls: Quantum Theory of Solids (Clarendon, Oxford 1955) p. 108

    MATH  Google Scholar 

  68. H. Fröhlich: On the theory of superconductivity: The one-dimensional case. Proc. R. Soc. London A 223, 296–305 (1954)

    ADS  Google Scholar 

  69. T. Kakitani: Theoretical study of optical absorption curves of molecules III. Prog. Theor. Phys. 51, 656–673 (1974)

    ADS  Google Scholar 

  70. E. Ehrenfreund, Z. Vardeny, O. Brafman, B. Horovitz: Amplitude and phase modes in trans-polyacetylene: resonant Raman scattering and induced infrared activity. Phys. Rev. B 36, 1535–1553 (1987)

    ADS  Google Scholar 

  71. M. Nakahara, K. Maki: Quantum corrections to solitons in polyacetylene. Phys. Rev. B 25, 7789–7797 (1982)

    ADS  Google Scholar 

  72. H.J. Schulz: Lattice dynamics and electrical properties of commensurate one-dimensional charge-density-wave systems. Phys. Rev. B 18, 5756–5767 (1978)

    ADS  Google Scholar 

  73. M.J. Rice, E.J. Mele: Elementary excitations of a linearly conjugated diatomic polymer. Phys. Rev. Lett. 49, 1455–1459 (1982)

    ADS  Google Scholar 

  74. W. Kohn: Theory of the insulating state. Phys. Rev. 133, A171–181 (1964)

    MathSciNet  ADS  Google Scholar 

  75. E.J. Mele, M.J. Rice: Electron-phonon coupling in intrinsic trans-polyacetylene. Solid State Commun. 34, 339–343 (1980)

    ADS  Google Scholar 

  76. T. Kennedy, E.H. Lieb: Proof of the Peierls instability in one dimension. Phys. Rev. Lett. 59, 1309–1312 (1987)

    MathSciNet  ADS  Google Scholar 

  77. M.J. Rice: Charged π-phase kinks in lightly doped polyacetylene. Phys. Lett. 71A, 152(1979)

    ADS  Google Scholar 

  78. S.A. Brazovskii: Electronic excitations in the Peierls-Fröhlich state. Piśma Zh. Eksp. Teor. Fiz. 28, 656 (1978) [JETP Lett. 28, 606 (1978)]

    Google Scholar 

  79. S.A. Brazovskii, I.E. Dzyaloshinskii, I.M. Krichever: Exactly solvable discrete Peierls models. Zh. Eksp. Teor. Fiz. 83, 389 (1982) [Sov. Phys.-JETP 56, 212–225 (1982)]

    MathSciNet  Google Scholar 

  80. I.E. Dzyaloshinskii, I.M. Krichever: Sound and charge density wave in the discrete Peierls model. Zh. Eksp. Teor. Fiz. 85, 1771–1789 (1983) [Sov. Phys.-JETP 58, 1031–1040(1983)]

    Google Scholar 

  81. H. Takayama, Y.R. Lin-Liu, K. Maki: Continuum model for solitons in polyacetylene. Phys. Rev. B 21, 2388–2393 (1980)

    ADS  Google Scholar 

  82. S.A. Brazovskii, N.N. Kirova: Excitons, polarons and bipolarons in conducting polymers. Piśma Zh. Eksp. Teor. Fiz 33, 6–10 (1981) [JETP Lett. 33, 4 (1981)]

    Google Scholar 

  83. D.K. Campbell, A.R. Bishop: Solitons in polyacetylene and relativistic field theory models. Phys. Rev. B 24, 4859–4862 (1981)

    ADS  Google Scholar 

  84. D.K. Campbell, A.R. Bishop: Soliton excitations in polyacetylene and relativistic field theory models. Nucl. Phys. B 200, [Fs4], 297–328 (1982)

    ADS  Google Scholar 

  85. A.R. Bishop, D.K. Campbell, K. Fesser: Polyacetylene and relativistic field theory models. Mol. Cryst. Liq. Cryst. 77, 252–264 (1981)

    Google Scholar 

  86. A.R. Bishop, D.K. Campbell: “Polarons in Polyacetylene” in Non-Linear Problems: Present and Future, ed. by A.R. Bishop, D.K. Campbell, B. Nicolaenko (North-Holland, Amsterdam, 1982) pp.195–208

    Google Scholar 

  87. S.A. Brazovskii: Self-localized excitations in the Peierls-Fröhlich state. Zh. Eksp. Teor. Fiz. 78, 677–699 (1980) [Sov. Phys.-JETP 51, 342–353 (1980)]

    MathSciNet  Google Scholar 

  88. N.N. Bogoliubov, V.V. Tolmachev, D.V. Shirkov: A New Method of Superconductivity (Consultants Bureau, New York 1959)

    Google Scholar 

  89. P.G. De Gennes: Superconductivity of Metals and Alloys (Benjamin, New York 1966)

    MATH  Google Scholar 

  90. J. Bar-Sagi, C.G. Kuper: Self-consistent pair potential in an inhomogeneous superconductor. Phys. Rev. Lett. 28, 1556–1559 (1972)

    ADS  Google Scholar 

  91. J.T. Gammel: Finite band continuum model of polyacetylene. Phys. Rev. B 33, 5974–5975 (1986)

    ADS  Google Scholar 

  92. D.K. Campbell, A.R. Bishop, K. Fesser: Polarons in quasi-one-dimensional systems. Phys. Rev. B 26, 6862–6874 (1982)

    ADS  Google Scholar 

  93. Y. Onodera: Polarons, bipolarons, and their interactions in cis-polyacetylene. Phys. Rev. B 30, 775–785 (1984)

    ADS  Google Scholar 

  94. W.-P. Su, J.R. Schrieffer: Soliton dynamics in polyacetylene. Proc. Natl. Acad. Sci. 77, 5626–5629 (1980)

    ADS  Google Scholar 

  95. N. Suzuki, M. Ozaki, S. Etemad, A.J. Heeger, A.G. MacDiarmid: Solitons in polyacetylene: effects of dilute doping on optical absorption spectra. Phys. Rev. Lett. 45, 1209–1213 (1980); Erratum, ibid. 45, 1463 (1980)

    ADS  Google Scholar 

  96. J.T. Gammel, J.A. Krumhansl: Theory of optical absorption in trans-polyacetylene containing solitons. Phys. Rev. B 24, 1035–1039 (1981)

    ADS  Google Scholar 

  97. H. Fukutome, M. Sasai: Theory of electronic structures and lattice distortions in polyacetylene and itinerant Peierls system I. Prog. Theor. Phys. 67, 41–67 (1982)

    ADS  Google Scholar 

  98. S. Kivelson, T.-K. Lee, Y.R. Lin-Liu, I. Peschel, L. Yu: Boundary conditions and optical absorption in the soliton model of polyacetylene. Phys. Rev. B 25, 4173–4184(1982)

    ADS  Google Scholar 

  99. K. Fesser, A.R. Bishop, D.K. Campbell: Optical absorption from polarons in a model of polyacetylene. Phys. Rev. B 27, 4804–4825 (1983)

    ADS  Google Scholar 

  100. B. Horovitz: Optical conductivity of solitons in polyacetylene. Solid State Commun. 41, 593–596 (1982)

    ADS  Google Scholar 

  101. T. Martin, D.K. Campbell: Optical absorption from polarons in a diatomic polymer. Phys. Rev. B 35, 7732–7735 (1987)

    ADS  Google Scholar 

  102. S. Mazumdar: “When Kinks are not Elementary Excitations” in Nonlinearity in Condensed Matter, ed. by A.R. Bishop, D.K. Campbell, P. Kumar, S.E. Trullinger, Springer Ser. Solid-State Sci., Vol.69 (Springer, Berlin, Heidelberg 1987) pp.94–105

    Google Scholar 

  103. E.J. Mele, M.J. Rice: Vibrational excitations of charged solitons in polyacetylene. Phys. Rev. Lett. 45, 926–929 (1980)

    ADS  Google Scholar 

  104. J.C. Hicks, G.A. Blaisdell: Lattice vibrations in polyacetylene. Phys. Rev. B 31, 919–926(1985)

    ADS  Google Scholar 

  105. H. Ito, A. Terai, Y. Ono, Y. Wada: Linear mode analysis around a soliton in trans-polyacetylene (CH)x. J. Phys. Soc. Jpn. 53, 3520–3531 (1984)

    ADS  Google Scholar 

  106. E.J. Mele, J.C. Hicks: Continuum theory for defect vibrations in conjugated polymers. Phys. Rev. B 32, 2703–2706 (1985)

    ADS  Google Scholar 

  107. A. Terai, H. Ito, Y. Ono, Y. Wada: Linear mode analysis around a polaron in the continuum model of trans-(CH)x. J. Phys. Soc. Jpn. 54, 196–202 (1985)

    ADS  Google Scholar 

  108. A. Terai, H. Ito, Y. Ono, Y. Wada: Phonons around a soliton in trans-(CH)x: dependence on the electron momentum cut-off. J. Phys. Soc. Jpn. 54, 4468–4469 (1985)

    ADS  Google Scholar 

  109. A. Terai, Y. Ono: Phonons around a soliton and a polaron in Su-Schrieffer-Heege’s model of trans-(CH)x. J. Phys. Soc. Jpn. 55, 213–221 (1986)

    ADS  Google Scholar 

  110. Y. Ono, A. Terai, Y. Wada: Phonons around a soliton in a continuum model of trans-polyacetylene. J. Phys. Soc. Jpn. 55, 1656–1662 (1986)

    ADS  Google Scholar 

  111. J.C. Hicks, J.T. Gammel: Solitary and infrared-active modes in polyacetylene. Phys. Rev. Lett. 57, 1320–1323 (1986)

    ADS  Google Scholar 

  112. J.T. Gammel, J.C.Hicks: Electrons and phonons in semi-continuum model of polyacetylene. Synth. Met. 17, 63–68 (1987)

    Google Scholar 

  113. E.J. Mele: “Phonons and the Peierls Instability in Polyacetylene” in Handbook of Conducting Polymers, ed. by T. Skotheim (Dekker, New York 1986) pp.795–823

    Google Scholar 

  114. J.C. Hicks, J.T. Gammel, H.-Y. Choi, E.J. Mele: Dynamical conductivity in polyacetylene. Synth. Met. 17, 57–62 (1987)

    Google Scholar 

  115. J.C. Hicks, J.T. Gammel: Effects of the Hubbard interaction and electrostatic pinning in polyacetylene. Phys. Rev. B 37, 6315–6324 (1988)

    ADS  Google Scholar 

  116. K. Maki: Soliton diffusion in polyacetylene. Phys. Rev. B 26, 2181–2191, 4539–4542(1982)

    ADS  Google Scholar 

  117. S. Jeyadev, E.M. Conwell: Polaron mobility in trans-polyacetylene. Phys. Rev. B 35, 6253–6259 (1987)

    ADS  Google Scholar 

  118. S. Jeyadev, E.M. Conwell: Soliton mobility in trans-polyacetylene. Phys. Rev. B 36, 3284–3293 (1987)

    ADS  Google Scholar 

  119. E.M. Conwell: Transport in trans-polyacetylene. IEEE Trans. EI.22, 591 (1987)

    Google Scholar 

  120. E.H. Lieb, F.Y. Wu: Absence of Mott transition in an exact solution of the short-range, one-band model in one dimension. Phys. Rev. Lett. 20, 1445–1448 (1968)

    ADS  Google Scholar 

  121. H. Bethe: Theory of metals. Part I. Eigenvalues and eigenfunctions of the linear atomic chain. Z. Phys. 71, 205 (1931)

    ADS  MATH  Google Scholar 

  122. J. Carmelo, D. Baeriswyl: Solution of the one-dimensional Hubbard model for arbitrary electron density and large U. Phys. Rev. B 37, 7541–7548 (1988)

    ADS  Google Scholar 

  123. A.A. Ovchinnikov: Excitation spectrum in the one-dimensional Hubbard model. Zh. Eksp. Teor. Fiz. 57, 2137–2143 (1969) [Sov. Phys.-JETP 30, 1160–1163 (1970)]

    Google Scholar 

  124. J. Des Cloiseaux, J.J. Pearson: Spin wave spectrum of the antiferromagnetic linear chain. Phys. Rev. 128, 2131–2135 (1962)

    ADS  Google Scholar 

  125. T.C. Choy, W. Young: On the continuum spin-wave spectrum of the one-dimensional Hubbard model. J. Phys. C 15, 521–528 (1982)

    ADS  Google Scholar 

  126. I.A. Misurkin, A.A. Ovchinnikov: Exact spectrum of quasi-ionic excitations in Hubbard’s one-dimensional model. Fiz. Tverd. Tela 12, 2524 (1970) [Sov. Phys.-Solid State 12, 2031 (1971)]

    Google Scholar 

  127. C.F. Coll III: Excitation spectrum of the 1-D Hubbard model. Phys. Rev. B 9, 2150–2158 (1974)

    ADS  Google Scholar 

  128. F. Woynarovich: Excitations with complex wavenumbers in a Hubbard chain I: States with one pair of complex wavenumbers. J. Phys. C 15, 85–96 (1982)

    ADS  Google Scholar 

  129. P.F. Maldague: Optical spectrum of a Hubbard chain. Phys. Rev. B 16, 2437–2446 (1977)

    ADS  Google Scholar 

  130. S. Mazumdar, Z.G. Soos: Valence bond analysis of extended Hubbard models: charge transfer excitations of molecular conductors. Phys. Rev. B 23, 2810–2823 (1981)

    ADS  Google Scholar 

  131. D. Baeriswyl, J. Carmelo, A. Luther: Correlation effects on the oscillator strength of optical absorption: sum rule for the one-dimensional Hubbard model. Phys. Rev. B 33, 7247–7248 (1986); (E) ibid. B 34, 8976 (1986)

    ADS  Google Scholar 

  132. W. Metzner, D. Vollhardt: Correlated lattice fermions in d = ∞ dimensions. Phys. Rev. Lett. 62, 324–327 (1989)

    ADS  Google Scholar 

  133. E.N. Economou, P.N. Poulopoulos: Ground-state energy of the half-filled one-dimensional Hubbard model. Phys. Rev. B 29, 4756–4758 (1979)

    ADS  Google Scholar 

  134. M. Takahashi: On the exact ground state energy of Lieb and Wu. Prog. Theor. Phys. 45, 756–760(1971)

    ADS  MATH  Google Scholar 

  135. P.W. Anderson: New approach to theory of superexchange interactions. Phys. Rev. 115,2–13(1959)

    MathSciNet  ADS  MATH  Google Scholar 

  136. D.J. Klein, W.A. Seitz: Perturbation expansion of the linear Hubbard model. Phys. Rev. B 8, 2236–2247 (1973)

    ADS  Google Scholar 

  137. L. Hulthen: Über das Austauschproblem eines Kristalls. Arkiv Mat. Astron. Fysik 26A, A (1938)

    Google Scholar 

  138. M. Takahashi: Magnetization curve for the half-filled Hubbard model. Prog. Theor. Phys. 42, 1098–1105 (1969); Erratum, ibid. 43, 860 (1970)

    ADS  Google Scholar 

  139. M. Takahashi: Magnetic susceptibility for the half-filled Hubbard model. Prog. Theor. Phys. 43, 1619 (1970)

    ADS  Google Scholar 

  140. H. Shiba: Magnetic susceptibility at zero temperature for the one-dimensional Hubbard model. Phys. Rev. B 6, 930–938 (1972)

    ADS  Google Scholar 

  141. J.E. Hirsch, R.L. Sugar, D.J. Scalapino, R. Blankenbecler: Monte Carlo simulations of one-dimensional fermion systems. Phys. Rev. B 26, 5033–5055 (1982)

    ADS  Google Scholar 

  142. A. Luther, I. Peschel: Calculation of critical exponents in two dimensions from quantum field theory in one dimension. Phys. Rev. B 12, 3908–3917 (1975)

    ADS  Google Scholar 

  143. N.M. Bogoliubov, A.G. Izergin, V.E. Korepin: Critical exponents for integrable models. Nucl. Phys. B 275, [FS 17], 687 (1986)

    MathSciNet  ADS  Google Scholar 

  144. J.E. Hirsch, D.J. Scalapino: 2pF and 4pF instabilities in the one-dimensional Hubbard model. Phys. Rev. B 29, 5554–5561 (1984)

    ADS  Google Scholar 

  145. S.K. Lyo, J.P. Gallinar: Absorption in a strong-coupling half-filled-band Hubbard chain. J. Phys. C 10, 1693–1702 (1977)

    ADS  Google Scholar 

  146. E.Y. Loh Jr., D.K. Campbell: Optical absorption in the extended Peierls-Hubbard models. Synth. Met. 27, A499–A508 (1988)

    Google Scholar 

  147. A.A. Ovchinnikov, I.I. Ukrainskii, G.V. Kventsel: Theory of one-dimensional Mott semiconductors and the electronic structure of long molecules having conjugated bonds. Sov. Phys.-Usp. 15, 575–591 (1973)

    ADS  Google Scholar 

  148. D.J. Klein, W.A. Seitz: Partially filled linear Hubbard model near the atomic limit. Phys. Rev. B 10, 3217–3227 (1974)

    ADS  Google Scholar 

  149. J. Bernasconi, M.J. Rice, W.R. Schneider, S. Strässler: Peierls transition in the strong-coupling Hubbard chain. Phys. Rev. B 12, 1090–1097 (1975)

    ADS  Google Scholar 

  150. J. Carmelo: Exact and variational results for many-electron models of one-dimensional conductors. Ph.D. Thesis, Copenhagen (1986)

    Google Scholar 

  151. D. Baeriswyl, J. Carmelo, K. Maki: Coulomb correlations in one-dimensional conductors with incommensurate band fillings and the semiconductor-metal transition in polyacetylene. Synth. Met. 21, 271–278 (1987)

    Google Scholar 

  152. P.P. Bendt: Nearest-neighbor correlation effects in spinless one-dimensional conductors. Phys. Rev. B 30, 3951–3962 (1984)

    ADS  Google Scholar 

  153. P. De Loth, J.P. Malrieu, D. Maynau: Polyazacetylene; metallic conductor vs Mott insulator. Phys. Rev. B 36, 3365–3367 (1987)

    ADS  Google Scholar 

  154. M.C. Dos Santos, J.L. Brédas: Nonlinear excitations in pernigraniline, the oxidized form of polyaniline. Phys. Rev. Lett. 62, 2499–2502 (1989)

    ADS  Google Scholar 

  155. S.N. Dixit, S. Mazumdar: Electron-electron interaction effects on Peierls dimerization in a half-filled band. Phys. Rev. B 29, 1824–1839 (1984)

    ADS  Google Scholar 

  156. D. Bertho, A. Laghdir, C. Jouanin: Energetic study of polarons and bipolarons in polythiophene: importance of Coulomb effects. Phys. Rev. B 38, 12531–12539 (1988)

    ADS  Google Scholar 

  157. J. Fink, G. Leising: Momentum-dependent dielectric functions of oriented trans-polyacetylene. Phys. Rev. B 34, 5320–5328 (1986)

    ADS  Google Scholar 

  158. B.S. Hudson, B.E. Kohler, K. Schulten: “Linear Polyene Electronic Structure and Potential Surfaces” in Excited States, ed. by E.C. Lim (Academic, New York 1982) pp.1–95

    Google Scholar 

  159. B. Horovitz: Infrared activity of Peierls systems and application to polyacetylene. Solid State Commun. 41, 729–734 (1982)

    ADS  Google Scholar 

  160. G. Zannoni, G. Zerbi: Lattice dynamics of polyacetylene as a one-dimensional system; Part I: The case of the trans perfect monomes. J. Mol. Struct. 100, 485–504 (1983); Part II Doping-induced disorder. ibid 100, 505–530 (1983)

    ADS  Google Scholar 

  161. J.E. Hirsch, E. Fradkin: Effects of quantum fluctuations on the Peierls instability: A Monte Carlo study. Phys. Rev. Lett. 49, 402–405 (1982)

    ADS  Google Scholar 

  162. E. Fradkin, J.E. Hirsch: Phase diagram of one-dimensional electron-phonon systems. I. The Su-Schrieffer-Heeger model. Phys. Rev. B 27, 1680–1697 (1983)

    ADS  Google Scholar 

  163. W.-P. Su: Quantum ground state of a polyacetylene ring. Solid State Commun. 42,497–499(1982)

    ADS  Google Scholar 

  164. C. Kittel: Quantum Theory of Solids (Wiley, New York 1963)

    Google Scholar 

  165. D. Baeriswyl, J.J. Forney: On the instabilities of the 1-d interacting electron gas. J. Phys. C 13, 3203–3226 (1980)

    ADS  Google Scholar 

  166. K.R. Subbaswamy, M. Grabowski: Bond alternation, on-site Coulomb correlations, and solitons in polyacetylene. Phys. Rev. B 24, 2168–2173 (1981)

    ADS  Google Scholar 

  167. S. Kivelson, D.E. Heim: Hubbard versus Peierls and the Su-Schrieffer-Heeger model of polyacetylene. Phys. Rev. B 26, 4278–4292 (1982)

    ADS  Google Scholar 

  168. H. Fukutome, M. Sasai: Theory of electronic structures and lattice distortions of polyacetylene and itinerant Peierls systems III. Prog. Theor. Phys. 69, 373–395 (1983)

    ADS  Google Scholar 

  169. M. Sasai, H. Fukutome: Continuum version for the PPP model of polyacetylene and other half-filled Peierls systems. Prog. Theor. Phys. 73, 1–17 (1985)

    ADS  Google Scholar 

  170. J. Cizek, J. Paldus: Stability conditions for the solutions of the Hartree-Fock equations for atomic and molecular systems. Application to the π-electron model of cyclic polyenes. J. Chem. Phys. 47, 3976 (1967)

    ADS  Google Scholar 

  171. J. Paldus, J. Cizek: Comment on the paper by Harris and Falicov: Self-consistent theory of bond alternation in polyenes: normal states, charge-density waves, and spin-density waves. J. Chem. Phys. 53, 1619 (1970)

    ADS  Google Scholar 

  172. J. Paldus, J. Cizek: Stability conditions for the solutions of the Hartree-Fock equations for atomic and molecular systems VI. Singlet-type instabilities and charge-density-wave Hartree-Fock solutions for cyclic polyenes. Phys. Rev. A 2, 2268 (1970)

    ADS  Google Scholar 

  173. S. Mazumdar, D.K. Campbell: Broken symmetries in a one-dimensional halffilled band with arbitrarily long-range Coulomb interactions. Phys. Rev. Lett. 55,2067–2070(1985)

    ADS  Google Scholar 

  174. S. Mazumdar, D.K. Campbell: Bond alternation in the infinite polyene: effect of long-range Coulomb interactions. Synth. Met. 13, 163–172 (1986)

    Google Scholar 

  175. B.E. Kohler, C. Spangler, C. Westerfield: The 21 A g state in the linear polyene 2,4,6,8,10,12,14,16-octadecaoctaene. J. Chem. Phys. 89, 5422–5428 (1988)

    ADS  Google Scholar 

  176. W.-K. Wu, S. Kivelson: Theory of conducting polymers with weak electron-electron interaction. Phys. Rev. B 33, 8546–8557 (1986)

    ADS  Google Scholar 

  177. V.J. Emery: “Theory of the One-Dimensional Electron Gas” in Highly Conducting One-Dimensional Solids, ed. by J.T. Devreese, R.P. Evrard, V.E. van Doren (Plenum, New York 1979) pp.247–303

    Google Scholar 

  178. J. śolyom: The Fermi gas model of one-dimensional conductors. Adv. Phys. 28, 201–303(1979)

    ADS  Google Scholar 

  179. B. Horovitz, J. śolyom: Charge-density waves with electron-electron interactions. Phys. Rev. B 32, 2681–2684 (1985)

    ADS  Google Scholar 

  180. V.Ya.Krivnov, A.A. Ovchinnikov: Peierls instability in weakly nonideal one-dimensional systems. Zh. Eksp. Teor. Fiz. 90, 709–723 (1986) [Sov. Phys.-JETP 63, 414–421 (1986)]

    MathSciNet  Google Scholar 

  181. J.H. Schulz, J. Voit: Electron-phonon interaction and phonon dynamics in one-dimensional conductors: spinless fermions. Phys. Rev. B 36, 968–979 (1987)

    ADS  Google Scholar 

  182. J. Voit: Electronic interactions, charge conjugation symmetry breaking, and phonon dynamics in an extended SSH model. Synth. Met. 27, A33–A40 (1988)

    Google Scholar 

  183. J.E. Hirsch: Renormalization group study of the Hubbard model. Phys. Rev. B 22, 5259–5266(1980)

    ADS  Google Scholar 

  184. C. Dasgupta, P. Pfeuty: Real space renormalization group study of the 1-d Hubbard model. J. Phys. C 14, 717–735 (1981)

    ADS  Google Scholar 

  185. G.W. Hayden, E.J. Mele: Renormalization-group studies of the Hubbard-Peierls Hamiltonian for finite polyenes. Phys. Rev. B 32, 6527–6530 (1985)

    ADS  Google Scholar 

  186. G.W. Hayden, E.J. Mele: Correlation effects and excited states in conjugated polymers. Phys. Rev. B 34, 5484–5497 (1986)

    ADS  Google Scholar 

  187. E.J. Mele, G.W. Hayden: Self-localized excitations in conjugated polymers. Synth. Met. 17, 107–113 (1987)

    Google Scholar 

  188. P. Tavan, K. Schulten: The low-lying electron excitations in long polyenes: a PPP-MRD-DI study. J. Chem. Phys. 85, 6602–6609 (1986)

    ADS  Google Scholar 

  189. P. Tavan, K. Schulten: Electronic excitations in finite and infinite polyenes. Phys. Rev. B 36, 4337–4358 (1987)

    ADS  Google Scholar 

  190. P. Horsch: Correlation effects on bond alternation in polyacetylene. Phys. Rev. B. 24, 7351–7360(1981)

    ADS  Google Scholar 

  191. D. Baeriswyl, K. Maki: Electron correlations in polyacetylene. Phys. Rev. B 31, 6633–6642 (1985)

    ADS  Google Scholar 

  192. D. Baeriswyl, K. Maki: Coulomb correlations and optical gap in polyacetylene. Synth. Met. 17, 13–18(1987)

    Google Scholar 

  193. D. Baeriswyl: “Variational Schemes for Many Electron Systems” in Nonlinearity in Condensed Matter, ed. by A.R. Bishop, D.K. Campbell, P. Kumar, S.E. Trullinger, Springer Ser. Solid State Sci., Vol.69 (Springer, Berlin, Heidelberg, 1987) p.183–194

    Google Scholar 

  194. I.I. Ukrainskii: New variational function in the theory of quasi-one-dimensional metals. Teor. Mat. Fiz. 32, 392 (1977) [Sov. Phys-Theor. Math. Phys. 32, 816 (1978)]

    Google Scholar 

  195. I.I. Ukrainskii: Effect of electron interaction on the Peierls instability. Sov. Phys.-JETP 49, 381–386 (1979)

    ADS  Google Scholar 

  196. I.I. Ukrainskii: Effective electron-electron interaction in conjugated polymers. Phys. Status Solidi (b) 106, 55–62 (1981)

    ADS  Google Scholar 

  197. C.-Q. Wu, X. Sun, K. Nasu: Electron correlation and bond alternation in polymers. Phys. Rev. Lett. 59, 831–834 (1987)

    ADS  Google Scholar 

  198. K. Schulten, I. Ohmine, M. Karplus: Correlation effects in the spectra of polyenes. J. Chem. Phys. 64, 4422–4441 (1976)

    ADS  Google Scholar 

  199. I. Ohmine, M. Karplus, K. Schulten: Renormalized configuration interaction method for electron correlation in excited states of polyenes. J. Chem. Phys. 68, 2298–2318(1978)

    ADS  Google Scholar 

  200. P. Tavan, K. Schulten: Correlation effects in the spectra of polyacenes. J. Chem. Phys. 70, 5414–5421 (1979)

    ADS  Google Scholar 

  201. P. Tavan, K. Schulten: The 21 A g-11 B u energy gap in the polyenes: an extended configuration interaction study. J. Chem. Phys. 70, 5407–5413 (1979)

    ADS  Google Scholar 

  202. S. Mazumdar, Z.G. Soos: Valence bond theory of narrow-band conductors. Synth. Met. 1, 77–94 (1979/80)

    Google Scholar 

  203. S.R. Bondeson, Z.G. Soos: The noncrossing rule and degeneracy in Hubbard models: Cyclobutadiene and benzene. J. Chem. Phys. 71, 3807 (1979); Erratum, ibid. 73, 598(1980)

    ADS  Google Scholar 

  204. S. Mazumdar, S.N. Dixit: Coulomb effécts on one-dimensional Peierls instability: the Peierls-Hubbard model. Phys. Rev. Lett. 51, 292–295 (1983)

    ADS  Google Scholar 

  205. Z.G. Soos, S. Ramesesha: Valence bond approach to exact nonlinear optical properties of conjugated systems. J. Chem. Phys. 90, 1067–1076 (1989)

    ADS  Google Scholar 

  206. S. Mazumdar, S.N. Dixit: Electronic excited states in conjugated polymers. Synth. Met. 28, D463–468 (1989)

    Google Scholar 

  207. J.E. Hirsch: Effect of Coulomb interactions on the Peierls instability. Phys. Rev. Lett. 51,296–299(1983)

    ADS  Google Scholar 

  208. J.E. Hirsch, M. Grabowski: Solitons in polyacetylene: a Monte Carlo study. Phys. Rev. Lett. 52, 1713–1716 (1984)

    ADS  Google Scholar 

  209. D.K. Campbell, T.A. DeGrand, S. Mazumdar: Soliton energetics in Peierls-Hubbard models. Phys. Rev. Lett. 52, 1717–1720 (1984)

    ADS  Google Scholar 

  210. D.K. Campbell, T.A. DeGrand, S. Mazumdar: Soliton energetics in extended Peierls-Hubbard models: a quantum Monte Carlo study. Mol. Cryst. Liq. Cryst. 118,41 (1985)

    Google Scholar 

  211. D.K. Campbell, T.A. DeGrand, S. Mazumdar: Quantum Monte Carlo studies of electron-electron interaction effects in conducting polymers. J. Stat. Phys. 43, 803–814 (1986)

    ADS  Google Scholar 

  212. S. Klemm, M.A. Lee: Quantum simulations of conjugated carbon chains. Superlattices Microstruct. 1, 535–542 (1985)

    Google Scholar 

  213. R. Blankenbecler, R. Sugar: Projector Monte Carlo method. Phys. Rev. D 27, 1304–1311 (1983)

    ADS  Google Scholar 

  214. M. Suzuki: Relationship between d-dimensional quantal spin systems and (d+l)-dimensional Ising systems. Equivalence, critical exponents and systematic approximants of the partition function and spin correlations. Prog. Theor. Phys. 56, 1454–1469(1976)

    ADS  MATH  Google Scholar 

  215. M. Kalos, D. Levesque, L. Verlet: Helium at zero temperature with hard-sphere and other forces. Phys. Rev. A 9, 2178–2195 (1974)

    ADS  Google Scholar 

  216. M.A. Lee, K.A. Motakabbir, K.E. Schmidt: Ground state of the extended one-dimensional Hubbard model: a Green’s function Monte Carlo algorithm. Phys. Rev. Lett. 53, 1191–1194 (1984)

    ADS  Google Scholar 

  217. J.E. Hirsch, E. Fradkin: Phase diagram of one-dimensional electron-phonon systems II. The molecular-crystal model. Phys. Rev. B 27, 4302–4316 (1983)

    ADS  Google Scholar 

  218. R.M. Grimes, B.L. Hammond, P.J. Reynolds, W.A. Lester: Quantum Monte Carlo approach to electronically excited molecules. J. Chem. Phys. 85, 4749–4750 (1986)

    ADS  Google Scholar 

  219. T. Holstein: Studies of polaron motion. Ann. Phys. 8, 325–389 (1959)

    ADS  MATH  Google Scholar 

  220. M.J. Rice: Organic linear conductors as systems for the study of electron-phonon interactions in the organic solid state. Phys. Rev. Lett. 37, 36–39 (1976)

    ADS  Google Scholar 

  221. R. Bozio, M. Meneghetti, C. Pecile: Optical properties of molecular conductors: one-dimensional systems with twofold-commensurate charge-density waves. Phys. Rev. B 36, 7795–7804 (1987)

    ADS  Google Scholar 

  222. R. Bozio, M. Meneghetti, D. Pedron, C. Pecile: Molecular cluster models for the analysis of the optical spectra of organic charge transfer crystals: properties and applications. Synth. Met. 27, B109 (1988); Optical studies of the interplay between electron-lattice and electron-electron interactions in organic molecular conductors. Synth. Met. 27, B129 (1988)

    Google Scholar 

  223. W.-P. Su: Soliton excitations in a commensurability 2 mixed Peierls system. Solid State Commun. 48, 479–481 (1983)

    ADS  Google Scholar 

  224. S. Kivelson: Solitons with adjustable change in a commensurable Peierls insulator. Phys. Rev. B 28, 2653–2658 (1983)

    ADS  Google Scholar 

  225. D. Baeriswyl, A.R. Bishop: Localized polaronic states in mixed-valence linear chain complexes. J. Phys. C 21, 339–356 (1988)

    ADS  Google Scholar 

  226. C.R. Fincher, C.-E. Chen, A.J. Heeger, A.C. MacDiarmid, J.B. Hastings: Structural determination of the symmetry breaking parameter in trans-(CH)x. Phys. Rev. Lett. 48, 100–104 (1982)

    ADS  Google Scholar 

  227. C.S. Yannoni, T.C. Clarke: Molecular geometry of cis- and trans-polyacetylene by nutation NMR spectroscopy. Phys. Rev. Lett. 51, 1191–1193 (1983)

    ADS  Google Scholar 

  228. H. Kahlert, O. Leitner, G. Leising: Structural properties of trans- and cis-(CH)x. Synth. Met. 17, 467–472 (1987)

    Google Scholar 

  229. R.A. Harris, L.M. Falicov: Self-consistent theory of bond alternation in polyenes: normal state, charge-density waves and spin-density waves. J. Chem. Phys. 51,5034–5041 (1969)

    ADS  Google Scholar 

  230. I. Egri: Theory of 1-D Peierls-Hubbard model. Z. Phys. B 23, 381–387 (1976)

    ADS  Google Scholar 

  231. I. Egri: Antiferromagnetism and lattice distortion in the Peierls-Hubbard model. Solid State Commun. 22, 281–284 (1977)

    ADS  Google Scholar 

  232. Y.J. I’Haya, M. Suzuki, S. Narita: Separated pair approximation and electron correlation in linear polyenes. J. Chem. Phys. 77, 391–395 (1982)

    ADS  Google Scholar 

  233. T. Nakano, H. Fukuyama: Solitons in spin-Peierls systems and applications to polyacetylene. J. Phys. Soc. Jpn. 49, 1679–1691 (1980)

    ADS  Google Scholar 

  234. J. Kondo: Coulomb enhancement of the Peierls distortion. Physica 9B, 176–184 (1980)

    Google Scholar 

  235. L. Pauling: The metallic orbital and the nature of metals. J. Solid State Chem. 54, 297–307 (1984) and references therein

    ADS  Google Scholar 

  236. C. Coulson, W.T. Dixon: Bond lengths in cyclic polyenes C2nH2n. A reexamination from the valence-bond point of view. Tetrahedron 17, 215–228 (1961)

    Google Scholar 

  237. D.J. Klein, M.A. Garcia-Bach: Variational localized site cluster expansions. X. Dimerization in linear Heisenberg chains. Phys. Rev. B 19, 877–886 (1979) D.J. Klein: Long-range order for spin pairing in valence bond theory. Int. J. Quantum Chem. (Quantum Chem. Symp.) 13, 293–303 (1979)

    ADS  Google Scholar 

  238. D.J. Klein, T.G. Schmalz, W.A. Seitz, G.E. Hite: Overview of Hückel- and resonance-theoretical approaches to π-network polymers. Int. J. Quantum Chem. (Quantum Chem. Symp.) 19, 707–718 (1986)

    Google Scholar 

  239. S. Mazumdar: Valence bond approach to two-dimensional broken symmetries: application to La2CuO4. Phys. Rev. B 36, 7190–7193 (1987)

    ADS  Google Scholar 

  240. S. Mazumdar, S.N. Dixit, A.N. Bloch: Correlation effects on charge density waves in narrow band one-dimensional conductors. Phys. Rev. B 30, 4842–4845 (1984)

    ADS  Google Scholar 

  241. J. Hubbard: Generalized Wigner lattices in one dimension and some applications to TCNQ salts. Phys. Rev. B 17, 494–503 (1978)

    ADS  Google Scholar 

  242. Z.G. Soos, S. Ramasesha: Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models. Phys. Rev. B 29, 5410–4095 (1984)

    ADS  Google Scholar 

  243. J. Paldus, M. Takahashi: Bond length alternation in cyclic polyenes. IV. Finite order perturbation theory approach. Int. J. Quantum Chem. 25, 423 (1984)

    Google Scholar 

  244. G.W. Hayden, Z.G. Soos: Dimerization enhancement in one-dimensional Hubbard and Pariser-Parr-Pople models. Phys. Rev. B 38, 6075–6083 (1988)

    ADS  Google Scholar 

  245. A. Zawadowski: Two-band model with off-diagonal occupation dependent hopping rate: enhancement of coupling and superconductivity. Phys. Scr. T27, 66–73 (1989)

    ADS  Google Scholar 

  246. J.E. Hirsch: Coulomb attraction between Bloch electrons. Phys. Lett. A 138, 83 (1989)

    ADS  Google Scholar 

  247. H.M. McConnell, D.B. Chesnut: Negative spin densities in aromatic radicals. J. Chem. Phys. 27, 984–985 (1957)

    ADS  Google Scholar 

  248. A.D. McLachlan: The signs of the valence bond wave functions in an alternant hydrocarbon. Mol. Phys. 2, 223–224 (1959)

    ADS  Google Scholar 

  249. H. Thomann, L.R. Dalton, Y. Tomkiewicz, N.S. Shiren, T.C. Clarke: Electronnuclear double-resonance determination of the 13C and 1H hyperfine tensors for polyacetylene. Phys. Rev. Lett. 50, 533–536 (1983)

    ADS  Google Scholar 

  250. H. Thomann, L.R. Dalton, M. Grabowski, T.C. Clarke: Direct observation of Coulomb correlation effects in polyacetylene. Phys. Rev. B 31, 3141–3143 (1985)

    ADS  Google Scholar 

  251. Z.G. Soos, S. Ramasesha: Spin densities and correlations in regular polyene radicals. Phys. Rev. Lett. 51, 2374–2377 (1983)

    ADS  Google Scholar 

  252. S. Kuroda, M. Tokumoto, N. Kinoshita, T. Ishiquro, H. Shirakawa: Distribution of spin density in undoped (CH)x. J. de Phys. 44, C3,303–306 (1983)

    Google Scholar 

  253. S. Kuroda, H. Bando, H. Shirakawa: Direct observation of “soliton-like” spin density distribution in undoped cis-rich (CH)x by ENDOR at 4K. Solid State Commun. 52, 893–897 (1984)

    ADS  Google Scholar 

  254. S. Kuroda, H. Bando, H. Shirakawa: Direct observation of “soliton-like” spin density distribution in undoped cis-rich (CH)x using ENDOR. J. Phys. Soc. Jpn. 54, 3956–3965 (1984)

    ADS  Google Scholar 

  255. S. Kuroda, H. Shirakawa: Soliton spin density in polyacetylene studied by ENDOR in pristine and 13C-enriched cis-rich sample. Synth. Met. 17, 423–428 (1987)

    Google Scholar 

  256. A. Grupp, P. Höfer, H. Käss, M. Mehring, R. Weizenhöfer, G. Wegner: “Pulsed ENDOR and TRIPLE Resonance on trans-Polyacetylene a la Durham Route”, in Electronic Properties of Conjugated Polymers, ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid-State Sci., Vol. 76 (Springer, Berlin, Heidelberg 1987) pp.156–159

    Google Scholar 

  257. H. Käss, P. Höfer, A. Grupp, P.K. Kahol, R. Weizenhöfer, G. Wegner, M. Mehring: Electron spin delocalization in Feast-type (Durham route) polyacetylene: pulsed ENDOR investigations. Europhys. Lett. 4, 947–951 (1987)

    ADS  Google Scholar 

  258. M. Mehring, A. Grupp, P. Höfer, H. Käss: The structure of the soliton in trans-polyacetylene: a pulsed ENDOR analysis. Synth. Met. 28, D399–D406 (1989)

    Google Scholar 

  259. V.J. Emery: Theory of the quasi-one-dimensional electron gas with strong onsite interactions. Phys. Rev. B 14, 2989–2994 (1976)

    ADS  Google Scholar 

  260. N.A. Popov: Use of the alternate-molecular orbit method for calculating the electron spectra of alternate systems. J. Struct. Chem. 9, 766–771 (1968) [Russian original: Zh. Strukt. Khim. 9, 875–880 (1968)]

    Google Scholar 

  261. N.A. Popov: The alternation of bonds and the nature of the energy gap in the π-electronic spectrum of long polyenes. J. Struct. Chem. 10, 442–448 (1969) [Russian original: Zh. Strukt. Khim. 10, 533 (1969)]

    Google Scholar 

  262. E.G. Wilson: Electronic excitations of a conjugated polymer crystal. J. Phys. C 8,727–742(1975)

    ADS  Google Scholar 

  263. C. Cojan, G.P. Agrawal, C. Flytzanis: Optical properties of one-dimensional semiconductors and conjugated polymers. Phys. Rev. B 15, 909–925 (1977)

    ADS  Google Scholar 

  264. K. Lochner, H. Bässler, B. Tieke, G. Wegner: Photoconduction in polyacetylene multilayer structures in single crystals. Evidence for band-to-band excitation. Phys. Status Solidi (b) 88, 653–661 (1978)

    ADS  Google Scholar 

  265. K.J. Donovan, E.G. Wilson: Photocarrier creation in one dimension. Philos. Mag. B 44, 31–45(1981)

    Google Scholar 

  266. Z.G. Soos, S. Mazumdar, S. Kuwajima: Extended PPP model: 21 A and 13 B states of polydiacetylene fragments. Physica 143B, 538–541 (1986)

    Google Scholar 

  267. Z.G. Soos, S. Mazumdar, S. Kuwajima: “Extended PPP Model for Polydiacetylene Excitations” in Crystallographically Ordered Polymers, ed. by D.J. Sandman, ACS Symp. Ser. 337, 190–201 (1987)

    Google Scholar 

  268. F. Wudl, S.P. Bitler: Synthesis and some properties of poly(diacetylene) (polyenyne) oligomers. J. Am. Chem. Soc. 108, 4685–4687 (1986)

    Google Scholar 

  269. H. Gross, H. Sixl: Identification and correlation of the short-chain intermediates and final photoproducts in diacetylene crystals. Chem. Phys. Lett. 91, 262–267 (1982)

    ADS  Google Scholar 

  270. H. Gross, H. Sixl: Spectroscopy of the intermediates of the low temperature polymerization reaction in diacetylene crystals. Mol. Cryst. Liq. Cryst. 93, 261–277(1983)

    Google Scholar 

  271. L. Sebastian, G. Weiser: One-dimensional wide energy bands in a polydiacetylene revealed by electroreflectance. Phys. Rev. Lett. 46, 1156–1159 (1981)

    ADS  Google Scholar 

  272. H. Hayashi, K. Nasu: Effect of electron correlation on the ground state, the singlet-exciton states, and the triplet-exciton states of trans-polyacetylene. Phys. Rev. B 32, 5295–5302 (1985)

    ADS  Google Scholar 

  273. D.N. Batchelder, D. Bloor: An investigation of the electronic excited state of polyacetylene by resonance Raman spectroscopy. J. Phys. C 15, 3005 (1982)

    ADS  Google Scholar 

  274. R. Ball, W.-P. Su, J.R. Schrieffer: Photoproduction of neutral versus charged solitons in trans-(CH)x. J. de Phys. Colloq. 44, C3-429-436 (1983)

    Google Scholar 

  275. M.J. Rice, I.A. Howard: Photogenerated charged solitons in trans-polyacetylene. Phys. Rev. B 28, 6089–6090 (1983)

    ADS  Google Scholar 

  276. L. Robins, J. Orenstein, R. Superfine: Observation of the triplet excited state of a conjugated-polymer crystal. Phys. Rev. Lett. 56, 1850–1853 (1986)

    ADS  Google Scholar 

  277. M. Winter, A. Grupp, M. Mehring, H. Sixl: Transient ESR observation of triplet-soliton pairs in a conjugated polymer single crystal. Chem. Phys. Lett. 133, 482–484(1987)

    ADS  Google Scholar 

  278. R.H. Friend, D.D.C. Bradley, P. Townsend: Photo-excitation in conjugated polymers. J. Phys. D 20, 1367–1384 (1987)

    ADS  Google Scholar 

  279. W.-P. Su: Triplet solitonic excitations in trans-polyacetylene. Phys. Rev. B 34, 2988–2990(1986)

    ADS  Google Scholar 

  280. B.S. Hudson, B.E. Kohler: Linear polyene electronic structure and spectroscopy. Annu. Rev. Phys. Chem. 25, 437–460 (1974)

    ADS  Google Scholar 

  281. E.A. Imhoff, D.B. Fitchen, R.E. Stahlbush: Infrared photoluminescence in polyacetylene. Solid State Commun. 44, 329–332 (1982)

    ADS  Google Scholar 

  282. F. Kajzar, S. Etemad, G.L. Baker, J. Messier: X (3) of trans-(CH)x : experimental observation of 2Ag excited state. Synth. Met. 17, 563–568 (1987)

    Google Scholar 

  283. W.S. Fann, S. Benson, J.M.J. Madey, S. Etemad, G.L. Baker, F. Kajzar: Spectrum of χ(3)(-3ω;ω,ω,ω) in polyacetylene: an application of the free-electron laser in nonlinear optical spectroscopy. Phys. Rev. Lett. 62, 1492–1495 (1989)

    ADS  Google Scholar 

  284. W.-K. Wu: Nonlinear optical susceptibilities of a one-dimensional semiconductor. Phys. Rev. Lett. 61, 1119–1122 (1988)

    ADS  Google Scholar 

  285. R.R. Chance, M.L. Shand, C. Hogg, R. Silbey: Three-wave mixing in conjugated polymer solutions: two-photon absorption in polydiacetylenes. Phys. Rev. B 22, 3540–3550 (1980)

    ADS  Google Scholar 

  286. Y. Tokura, Y. Oowaki, T. Koda, R.H. Baughman: Electro-reflectance spectra of one-dimensional excitons in polyacetylene crystals. Chem. Phys. 88, 437–442 (1984)

    Google Scholar 

  287. P.A. Chollet, F. Kajzar, J. Messier: Nonlinear spectroscopy in polydiacetylenes. Synth. Met. 18,459(1987)

    Google Scholar 

  288. U. Dinur, M. Karplus: Correlation effects in the excited states of polydiacetylene models. Chem. Phys. Lett. 88, 171–176 (1982)

    ADS  Google Scholar 

  289. Z.G. Soos, P.C.M. McWilliams, G.W. Hayden: Coulomb correlations and two-photon spectra of conjugated polymers. Chem. Phys. Lett. 171, 14 (1990)

    ADS  Google Scholar 

  290. S.N. Dixit, D. Guo, S. Mazumdar: Essential states mechanism of optical nonlinearity in π-conjugated polymers. Phys. Rev. B 43, 6781–6784 (1991)

    ADS  Google Scholar 

  291. D. Baeriswyl, D.K. Campbell, S. Mazumdar: Correlations and defect energies. Phys. Rev. Lett. 56, 1509–1510 (1986)

    ADS  Google Scholar 

  292. D.K. Campbell, D. Baeriswyl, S. Mazumdar: Electron-electron interaction effects in quasi-one-dimensional conducting polymers and related systems. Synth. Met. 17, 197–202 (1987)

    Google Scholar 

  293. L.R. Ducasse, T.E. Miller, Z.G. Soos: Correlated states in finite polyenes: exact PPP results. J. Chem. Phys. 76, 4094–4104 (1982)

    ADS  Google Scholar 

  294. Z.G. Soos, L.R. Ducasse: Electronic correlations and midgap absorption in polyacetylene. J. Physique 44, C3,467–470 (1983)

    Google Scholar 

  295. Z.G. Soos, L.R. Ducasse: Electronic correlations and midgap absorption in polyacetylene. J. Chem. Phys. 78, 4092–4095 (1983)

    ADS  Google Scholar 

  296. S. Etemad, A. Feldblum, A.G. MacDiarmid, T.-C. Chung, A.J. Heeger: Polarons and solitons in trans-(CH)x: an optical study. J. Physique 44, C3, 413–422 (1983)

    Google Scholar 

  297. G. Harbeke, E. Meier, W. Kobel, M. Egli, H. Kiess, E. Tosatti: Spectroscopic evidence for polarons in poly(3-methylthiophene). Solid State Commun. 55, 419–422(1985)

    ADS  Google Scholar 

  298. G. Harbeke, D. Baeriswyl, H. Kiess, W. Kobel: Polarons and bipolarons in doped polythiophenes. Phys. Scr. T13, 302–305 (1986)

    ADS  Google Scholar 

  299. F. Genoud, M. Guglielmi, M. Nechtschein, E. Genies, M. Salmon: ESR study of electrochemical doping in the conducting polymer polypyrrole. Phys. Rev. Lett. 55, 118–121 (1985)

    ADS  Google Scholar 

  300. M. Nechtschein, F. Devreux, F. Genoud, E. Vieil, J.M. Pernaut, E. Genies: Polarons, bipolarons and charge interaction in polypyrrole: physical and electrochemical approaches. Synth. Met. 15, 59–78 (1986)

    Google Scholar 

  301. M. Schärli, H. Kiess, G. Harbeke, W. Berlinger, K.W. Blazey, K.A. Müller: E.S.R. of BF4 −-doped polythiophene. Synth. Met. 22, 317–336 (1988)

    Google Scholar 

  302. F. Devreux, F. Genoud, M. Nechtschein, B. Villeret: “On Polaron and Bipolaron Formation in Conducting Polymers” in Electronic Properties of Conjugated Polymers, ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid State Sci., Vol. 76 (Springer, Berlin, Heidelberg 1987) pp.270–276

    Google Scholar 

  303. M. Tanaka, A. Watanabe, J. Tanaka: Absorption spectra of the polyacetylene films doped with BF3. Bull. Chem. Soc. Jpn. 53, 645–647 (1980)

    Google Scholar 

  304. M. Tanaka, A. Watanabe, J. Tanaka: Absorption and reflection spectra of pure and C1SO3H doped polyacetylene films. Bull. Chem. Soc. Jpn. 53, 3430–3435 (1980)

    Google Scholar 

  305. A. Feldblum, J.H. Kaufman, S. Etemad, A.J. Heeger, T.-C. Chung, A.G. MacDiarmid: Opto-electrochemical spectroscopy of trans-(CH)x. Phys. Rev. B 26, 815–826(1982)

    ADS  Google Scholar 

  306. T.-C. Chung, F. Moraes, J.D. Flood, A.J. Heeger: Solitons at high density in trans-(CH)x: collective transport by mobile, spinless, charged solitons. Phys. Rev. B 29, 2341–2343(1984)

    ADS  Google Scholar 

  307. B.R. Weinberger, C.B. Roxlo, S. Etemad, G.L. Baker, J. Orenstein: Optical absorption in polyacetylene: a direct measurement using photothermal deflection spectroscopy. Phys. Rev. Lett. 53, 86–89 (1984)

    ADS  Google Scholar 

  308. J.H. Kaufman, N. Colaneri, J.C. Scott, G.B. Street: Evolution of polaron states into bipolarons in polypyrrole. Phys. Rev. Lett. 53, 1005–1008 (1984)

    ADS  Google Scholar 

  309. K. Kaneto, S. Hayashi, S. Ura, K. Yoshino: ESR and transport studies in electrochemically doped polythiophene film. J. Phys. Soc. Jpn. 54, 1146–1153 (1985)

    ADS  Google Scholar 

  310. J. Orenstein, G.L. Baker: Photogenerated gap states in polyacetylene. Phys. Rev. Lett. 49, 1043–1046(1982)

    ADS  Google Scholar 

  311. C.V. Shank, R. Yen, R.L. Fork, J. Orenstein, G.L. Baker: Picosecond dynamics of photoexcited gap states in polyacetylene. Phys. Rev. Lett. 49, 1660–1663 (1982)

    ADS  Google Scholar 

  312. C.V. Shank, R. Yen, J. Orenstein, G.L. Baker: Femtosecond excited-state relaxation in polyacetylene. Phys. Rev. B 28, 6095–6096 (1983)

    ADS  Google Scholar 

  313. J. Orenstein, Z. Vardeny, G.L. Baker, G. Eagle, S. Etemad: Mechanism for photogeneration of charge carriers in polyacetylene. Phys. Rev. B 30, 786–794 (1984)

    ADS  Google Scholar 

  314. J. Orenstein: “Photoexcitations of Conjugated Polymers” in Handbook of Conducting Polymers, ed. by T. Skotheim (Dekker, New York 1986) pp. 1297–1335

    Google Scholar 

  315. Z. Vardeny, J. Strait, D. Moses, T.-C. Chung, A.J. Heeger: Picosecond photoinduced dichroism in trans-(CH)x; direct measurement of soliton diffusion. Phys. Rev. Lett. 49, 1657–1660 (1982)

    ADS  Google Scholar 

  316. Z. Vardeny, J. Orenstein, G.L. Baker: Photoinduced infrared activity in polyacetylene. Phys. Rev. Lett. 50, 2032–2035 (1983)

    ADS  Google Scholar 

  317. Z. Vardeny, E. Ehrenfreund, O. Brafman: Photomodulation of soliton defects in polyacetylene, in Electronic Properties of Polymers and Related Compounds, ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid State Sci., Vol.63 (Springer, Berlin, Heidelberg 1985) pp.91–95

    Google Scholar 

  318. Z. Vardeny, M.T. Grahn, L. Chen, G. Leising: Photoexcitation dynamics in oriented trans-(CH)x. Synth. Met. 28, D167–D174 (1989)

    Google Scholar 

  319. Z. Vardeny, J. Tauc: Method for direct determination of the effective correlation energy of defects in semiconductors: optical modulation spectroscopy of dangling bonds. Phys. Rev. Lett. 54, 1844–1847 (1985)

    ADS  Google Scholar 

  320. Z. Vardeny, J. Tauc: Response to comment by Baeriswyl, Campbell and Mazumdar. Phys. Rev. Lett. 56, 1510 (1986)

    ADS  Google Scholar 

  321. G.B. Blanchet, C.R. Fincher, T.-C. Chung, A.J. Heeger: Photo-excitations in trans-(CH)x: a Fourier transform infrared study. Phys. Rev. Lett. 50, 1938–1941 (1983)

    ADS  Google Scholar 

  322. G.B. Blanchet, C.R. Fincher, A.J. Heeger: Excitation profile for photogeneration of solitons in trans-(CH)x. Phys. Rev. Lett. 51, 2132–2135 (1983)

    ADS  Google Scholar 

  323. L. Rothberg, T.M. Jedju, S. Etemad, G.L. Baker: Charged-soliton dynamics in trans-polyacetylene. Phys. Rev. Lett. 57, 3229–3232 (1986)

    ADS  Google Scholar 

  324. L. Rothberg, T.M. Jedju, S. Etemad, G.L. Baker: Picosecond dynamics of photogenerated charged solitons in trans-polyacetylene. Phys. Rev. B 36, 7529–7536 (1987)

    ADS  Google Scholar 

  325. H.E. Schaffer, R.H. Friend, A.J. Heeger: Localized phonons associated with solitons in polyacetylene: coupling to the non-uniform mode. Phys. Rev. B 36, 7537–7541 (1987)

    ADS  Google Scholar 

  326. P.D. Townsend, R.H. Friend: Photoexcitation in oriented polyacetylene. Synth. Met. 17,361–366(1987)

    Google Scholar 

  327. N.F. Colaneri, R.H. Friend, H.E. Schaffer, A.J. Heeger: Mechanism for photogeneration of metastable charged solitons in polyacetylene. Phys. Rev. B 38, 3960–3965 (1988)

    ADS  Google Scholar 

  328. D.K. Campbell, D. Baeriswyl, S. Mazumdar: Coulomb correlation effects in quasi-one-dimensional conductors. Physica 143B, 533–537 (1986)

    Google Scholar 

  329. C.G. Levey, D.V. Lang, S. Etemad, G.L. Baker, J. Orenstein: Photo-generation of spins in trans-polyacetylene. Synth. Met. 17, 569 (1987)

    Google Scholar 

  330. J.D. Flood, A.J. Heeger: Photogeneration of solitons in trans-polyacetylene: the reversed spin-charge relation of the photoexcitations. Phys. Rev. B 28, 2356–2360(1983)

    ADS  Google Scholar 

  331. F. Moraes, Y.W. Park, A.J. Heeger: Soliton photogeneration in trans-polyacetylene: light-induced electron spin resonance. Synth. Met. 13, 113 (1986)

    Google Scholar 

  332. Y. Yacoby, S. Roth, K. Menke, F. Keilmann, J. Kuhl: Carrier drift time from pulsed photoconductivity in as-grown trans-polyacetylene. Solid State Commun. 47, 869–871 (1983)

    ADS  Google Scholar 

  333. M. Sinclair, D. Moses, A.J. Heeger: Picosecond photoconductivity in trans-polyacetylene. Solid State Commun. 59, 343–347 (1986)

    ADS  Google Scholar 

  334. H. Bleier, S. Roth, H. Lobentanzer, G. Leising: Anisotropic kinetics of optically excited charge carriers in trans-polyacetylene. Europhys. Lett. 4, 1397–1402 (1987)

    ADS  Google Scholar 

  335. H. Bleier, K. Donovan, R.H. Friend, S. Roth, L. Rothberg, R. Tubino, Z. Vardeny, G. Wilson: Non-solitonic nature of picosecond photoconductivity in trans-polyacetylene. Synth. Met. 28, D189–D195 (1989)

    Google Scholar 

  336. P.L. Danielsen: Inter-chain versus intra-chain electron-hole photogeneration in trans-polyacetylene. J. Phys. C 19, L741–L745 (1986)

    ADS  Google Scholar 

  337. G.M. Carter, J.V. Hryniewicz, M.K. Thakur, Y.J. Chen, S.E. Meyler: Nonlinear optical processes in a polydiacetylene measured with femtosecond duration pulses. Appl. Phys. Lett. 49, 998–1000 (1986)

    ADS  Google Scholar 

  338. B.I. Greene, J. Orenstein, R.R. Millard, L.R. Williams: Nonlinear optical response of excitons confined to one dimension. Phys. Rev. Lett. 58, 2750–2753 (1987)

    ADS  Google Scholar 

  339. B.I. Greene, J.F. Mueller, J. Orenstein, D.H. Rapkine, S. Schmitt-Rink, M. Thakur: Phonon-mediated optical nonlinearity in polydiacetylene. Phys. Rev. Lett. 61,325–328(1988)

    ADS  Google Scholar 

  340. T. Hattori, W. Hayes, D. Bloor: Photoinduced absorption and luminescence in polydiacetylenes. J. Phys. C 17, L881–L888 (1984)

    ADS  Google Scholar 

  341. J. Orenstein, S. Etemad, G.L. Baker: Photoinduced absorption in a polydiacetylene. J. Phys. C 17, L297–L300 (1984)

    ADS  Google Scholar 

  342. F.L. Pratt, K.S. Wong, W. Hayes, D. Bloor: Infrared photo-induced absorption in polydiacetylene. J. Phys. C 20, L41–L46 (1987)

    ADS  Google Scholar 

  343. T. Hattori, W. Hayes, K. Wong, K. Kaneto, K. Yoshino: Optical properties of photoexcited and chemically doped polythiophene. J. Phys. C 17, L803–L807 (1984)

    ADS  Google Scholar 

  344. Z. Vardeny, E. Ehrenfreund, O. Brafman, M. Nowak, H. Schaffer, A.J. Heeger, F. Wudl: Photogeneration of confined soliton pairs (bipolarons) in polythiophene. Phys. Rev. Lett. 56, 671–674 (1986)

    ADS  Google Scholar 

  345. Y.H. Kim., S. Hotta, A.J. Heeger: Infrared photoexcitation and doping studies on poly(3-methylthiophene). Phys. Rev. B 36, 7486–7490 (1987)

    ADS  Google Scholar 

  346. Y.H. Kim., D. Spiegel, S. Hotta, A.J. Heeger: Photoexcitation and doping studies of poly(3-hexylthienylene). Phys. Rev. B 38, 5490–5495 (1988)

    ADS  Google Scholar 

  347. W. Hayes, C.N. Ironside, J.F. Ryan, R.P. Steele, R.A. Taylor: Picosecond study of luminescence of cis-polyacetylene. J. Phys. C 16, L729–L732 (1983)

    ADS  Google Scholar 

  348. S. Etemad, G.L. Baker, C.B. Roxlo, B.R. Weinberger, J. Orenstein: Band edge and neutral soliton absorption in polyacetylene: the role of Coulomb correlation. Mol. Cryst. Liq. Cryst. 117, 275–282 (1985)

    Google Scholar 

  349. K.S. Wong, W. Hayes, T. Hattori, R.A. Taylor, J.F. Ryan, K. Kaneto, Y. Yoshino, D. Bloor: Picosecond studies of luminescence in polythiophene and polydiacetylene. J. Phys. C 18, L843–L847 (1985)

    ADS  Google Scholar 

  350. W.J. Feast, I.S. Millichamp, R.H. Friend, M.E. Horton, D. Phillips, S.D.D.V. Rughooputh, G. Rumbles: Optical absorption and luminescence in poly(4,4′-diphenylenediphenylenevinylene). Synth. Met. 10, 181–191 (1985)

    Google Scholar 

  351. U. Sum., K. Fesser, H. Büttner: A model with broken charge conjugation symmetry for conducting polymers. J. Phys. C 20, L71–L75 (1987)

    ADS  Google Scholar 

  352. M. Kakano: Effects of density coupling on solitons in half-filled electron-lattice system. J. Phys. Soc. Jpn. 56, 2826–2834 (1987)

    ADS  Google Scholar 

  353. P.L. Danielsen, R.C. Ball: A theoretical study of photoluminescence quenching in cis-polyacetylene. J. de Phys. 46, 1611–1622 (1985)

    Google Scholar 

  354. U. Sum, K. Fesser, H. Büttner: Coulomb interaction and optical spectra in conjugated polymers. Solid State Commun. 61, 607–610 (1987)

    ADS  Google Scholar 

  355. A.R. Bishop, D.K. Campbell, P.S. Lomdahl, B. Horovitz, S.R. Phillpot: Breathers and photoinduced absorption in polyacetylene. Phys. Rev. Lett. 52, 671–674 (1984)

    ADS  Google Scholar 

  356. A.R. Bishop, D.K. Campbell, P.S. Lomdahl, B. Horovitz, S.R. Phillpot: Nonlinear dynamics, breathers and photoinduced absorption in polyacetylene. Synth. Met. 9, 223–239 (1984)

    Google Scholar 

  357. B. Horovitz, A.R. Bishop, S.R. Phillpot: Semiclassical formalism of optical absorption and breathers in polyacetylene. Phys. Rev. Lett. 60, 2210–2213 (1988)

    ADS  Google Scholar 

  358. M. Grabowski, D. Hone, J.R. Schrieffer: Photogenerated solitonic states in trans-polyacetylene. Phys. Rev. B 31, 7850–7854 (1985)

    ADS  Google Scholar 

  359. B.E. Kohler: The polyene 21 A g state in polyacetylene photoinduced photoabsorption and thermal isomerization. J. Chem. Phys. 88, 2788–2792 (1988)

    ADS  Google Scholar 

  360. E. Mulazzi, G.P. Brivio, E. Faulques, S. Lefrant: Experimental and theoretical Raman studies in trans-polyacetylene. Solid State Commun. 46, 851–855 (1983)

    ADS  Google Scholar 

  361. E. Mulazzi: Polarized resonant Raman scattering spectra from stretched trans-polyacetylene. Solid State Commun. 55, 807 (1985)

    ADS  Google Scholar 

  362. Z. Vardeny, E. Ehrenfreund, O. Brafman, B. Horovitz: Resonant Raman scattering from amplitude modes in trans-(CH)x and -(CD)x. Phys. Rev. Lett. 51,2326–2329(1983)

    ADS  Google Scholar 

  363. Z. Vardeny, E. Ehrenfreund, O. Brafman, B. Horovitz: Classification of disorder and extrinsic order in polymers by resonant Raman scattering. Phys. Rev. Lett. 54, 75–78 (1985)

    ADS  Google Scholar 

  364. Z. Vardeny, E. Ehrenfreund, O. Brafman, B. Horovitz, H. Fujimoto, J. Tanaka, M. Tanaka: Detection of soliton shape modes in polyacetylene. Phys. Rev. Lett. 57, 2995–2998 (1986)

    ADS  Google Scholar 

  365. C.-Q. Wu, X. Sun: Effects of the e — e interaction on the localized modes of solitons in polyacetylene. Phys. Rev. B 33, 8772–8775 (1986)

    ADS  Google Scholar 

  366. K. Yonemitsu, Y. Ono, Y. Wada: Correlation effects on the phonons localized around a soliton or a polaron in polyacetylene. J. Phys. Soc. Jpn. 56, 4400–4407 (1987)

    ADS  Google Scholar 

  367. J.P. Pouget: “Structural Features of Pure and Doped Polyacetylene: (CH)x” in Electronic Properties of Polymers and Related Compounds ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid-State Sci., Vol.63 (Springer, Berlin, Heidelberg 1985) pp.26–34

    Google Scholar 

  368. H. Shirakawa, T. Ito, S. Ikeda: Electrical properties of polyacetylene with various cis-trans compositions. Makro. Chem. 179, 1565–1573 (1978)

    Google Scholar 

  369. M. Ozaki, D. Peebles, B.R. Weinberger, A.J. Heeger, A.G. MacDiarmid: Semiconductor properties of polyacetylene p-(CH)x:n-CdS heterojunctions. J. Appl. Phys. 51,4252–4256(1980)

    ADS  Google Scholar 

  370. B. Ankele, G. Leising, H. Kahlert: Optical properties of conjugated segments embedded in polyvinylidene chloride. Solid State Commun. 62, 245–248 (1987)

    ADS  Google Scholar 

  371. G.W. Bryant, A.J. Glick: Impurity states in doped polyacetylene. Phys. Rev. B 26,5855–5866(1982)

    ADS  Google Scholar 

  372. B.R. Bulka: Stability of the Peierls state due to impurity. Phys. Status Solidi (b) 107,359(1981)

    ADS  Google Scholar 

  373. D. Baeriswyl: Impurity-induced defect states in polyacetylene. J. Physique 44, C3, 381–385(1983)

    Google Scholar 

  374. C.T. White, M.L. Elert, J.W. Mintmire: Effects of off-diagonal disorder on soliton-and polaron-like states in trans-polyacetylene. J. Physique 44, C3, 481–484 (1983)

    Google Scholar 

  375. S.R. Phillpot, D. Baeriswyl, A.R. Bishop, P.S. Lomdahl: Interplay of disorder and electron-phonon coupling in models of polyacetylene. Phys. Rev. B 35, 7533–7550(1987)

    ADS  Google Scholar 

  376. D. Boyanovsky: Random disorder in one-dimensional electron-phonon systems. Phys. Rev. B 27, 6763–6769 (1983)

    ADS  Google Scholar 

  377. B.-C. Xu, S.E. Trullinger: Supersymmetric treatment of random disorder in the continuum model of polyacetylene. Phys. Rev. Lett. 57, 3113–3116 (1986)

    ADS  Google Scholar 

  378. K. Fesser: The influence of disorder on the electronic structure of conjugated polymers. J. Phys. C 21, 5361–5368 (1988)

    ADS  Google Scholar 

  379. B.R. Bulka, B. Kramer: On the stability of the polaron in one-dimensional disorderd system. Z. Phys. B 63, 139–147 (1986)

    ADS  Google Scholar 

  380. T. Bohr, S.A. Brazovskii: Soliton statistics for a system of weakly bound chains; mapping to the Ising model. J. Phys. C 16, 1189 (1983)

    ADS  Google Scholar 

  381. R.H. Baughman, G.J. Moss: Interchain contribution to soliton properties in polyacetylene. J. Chem. Phys. 77, 6321 (1982)

    ADS  Google Scholar 

  382. S. Jeyadev: Interchain Coulomb interaction in polyacetylene. Phys. Rev. B 28, 3447–3456(1983)

    ADS  Google Scholar 

  383. D. Baeriswyl, K. Maki: Soliton confinement in polyacetylene due to interchain coupling. Phys. Rev. B 28, 2068–2073 (1983)

    ADS  Google Scholar 

  384. D. Baeriswyl, K. Maki: Interchain order, soliton confinement and electron-hole photogeneration in trans-polyacetylene. Phys. Rev. B 38, 8135–8141 (1988)

    ADS  Google Scholar 

  385. G. Leising, O. Leitner, H. Kahlert: Structure of fully oriented crystalline trans-(CH)x. Mol. Cryst. Liq. Cryst. 117, 67 (1985)

    Google Scholar 

  386. S. Kivelson: Electron hopping conduction in the soliton model of polyacetylene. Phys. Rev. Lett. 46, 1344–1348 (1981)

    ADS  Google Scholar 

  387. S. Kivelson: Electron hopping in a soliton band: conduction in lightly doped polyacetylene. Phys. Rev. B 25, 3789–3821 (1982)

    ADS  Google Scholar 

  388. A.J. Epstein, H. Rommelmann, M. Abkowitz, N.W. Gibson: Anomalous frequency-dependent conductivity of polyacetylene. Phys. Rev. Lett. 47, 1549–1553(1981)

    ADS  Google Scholar 

  389. S. Jeyadev, J.R. Schrieffer: Interchain polaron tunneling in trans-polyacetylene. Phys. Rev. B 30, 3620–3624 (1984)

    ADS  Google Scholar 

  390. D. Emin: Self-trapping in quasi-1-D solids. Phys. Rev. B 33, 3973–3975 (1986)

    ADS  Google Scholar 

  391. Yu.N. Gartstein, A.A. Zakhidov: Instability of polarons and bipolarons in conducting polymers at various 3d ordering types. Solid State Commun. 62, 213–220 (1987); Erratum, ibid. 65, No.4, ii (1988)

    ADS  Google Scholar 

  392. D. Baeriswyl, K. Maki: Fate of solitons, polarons and bipolarons in conjugated polymers: the role of interchain coupling. Synth. Met. 28, D507–D512 (1989)

    Google Scholar 

  393. D. Baeriswyl, G. Harbeke, H. Kiess, W. Meyer: “Conducting Polymers: Polyacetylene” in Electronic Properties of Polymers, ed. by J. Mort, G. Pfister (Wiley, New York 1982) pp.267–326

    Google Scholar 

  394. Z.-B. Su, L. Yu: Theory of soliton generation and lattice relaxation in polyacetylene: (I) General formalism. Comm. Theor. Phys. (Beijing) 2, 1203–1218 (1983); (II) Non-radiative transitions. ibid. 2, 1323–1339 (1983); (III) Radiative transitions. ibid. 2, 1341–1356 (1983)

    MathSciNet  Google Scholar 

  395. Z.-B. Su, L. Yu: Soliton pair generation in polyacetylene: a lattice relaxation approach. Phys. Rev. B 27, 5199–5202 (1983); Erratum: ibid. 29, 2309 (1984)

    ADS  Google Scholar 

  396. Z.-B. Su, Y.-X. Wang, L. Yu: Quantum fluctuation of the order parameter in polyacetylene. Mol. Cryst. Liq. Cryst. 118, 75–79 (1985)

    Google Scholar 

  397. D. Schmeltzer, R. Zeyher, W. Hanke: Effects of quantum fluctuations on one-dimensional electron-phonon systems: the Su-Schrieffer-Heeger model. Phys. Rev. B 33, 5141–5144(1986)

    ADS  Google Scholar 

  398. J.P. Sethna, S. Kivelson: Photoinduced soliton pair production in polyacetylene: an instanton approach. Phys. Rev. B 26, 3513–3516 (1982); Erratum ibid. 27, 7798 (1983)

    ADS  Google Scholar 

  399. A. Auerbach, S. Kivelson: Large amplitude quantum fluctuations and sub-gap optical absorption in trans-polyacetylene. Phys. Rev. B 33, 8171–8179 (1986)

    ADS  Google Scholar 

  400. M. Sinclair, D. Moses, D. McBranch, A.J. Heeger, J. Yu, W.-P. Su: “Instantons” as the origin of the nonlinear optical properties of polyacetylene. Phys. Scr. T27, 144–147 (1989)

    ADS  Google Scholar 

  401. J. Chen, A.J. Heeger: In situ electron spin resonance experiments on polyacetylene during electrochemical doping. Synth. Met. 24, 311–327 (1988)

    Google Scholar 

  402. A. Kotani: Continuity of self-consistent solutions between commensurate and incommensurate phases of the Peierls instability. II. Numerical calculations at zero temperature. J. Phys. Soc. Jpn. 42, 416–423 (1977)

    ADS  Google Scholar 

  403. H.-Y. Choi, E.J. Mele: Dynamical conductivity of soliton lattice and polaron lattice in the continuum model of polyacetylene. Phys. Rev. B 34, 8750–8757 (1986)

    ADS  Google Scholar 

  404. A. Takahashi: Exact periodic solutions in the continuum models of polyacetylene. Prog. Theor. Phys. 81, 610–632 (1989)

    ADS  Google Scholar 

  405. B.R. Bulka: Ground state of doped polyacetylene. Synth. Met. 24, 41 (1988)

    Google Scholar 

  406. S. Kivelson, A.J. Heeger: First-order transition to a metallic state in polyacetylene: a strong coupling polaronic metal. Phys. Rev. Lett. 55, 308–311 (1985)

    ADS  Google Scholar 

  407. S. Kivelson, A.J. Heeger: Theory of the soliton-lattice to polaron-lattice transition in conducting polymers. Synth. Met. 17, 183–188 (1987)

    Google Scholar 

  408. D.B. Tanner, G.L. Doll, A.M. Rao, P.C. Eklund, G.A. Arbuckle, A.G. MacDiarmid: Infrared absorption in K-doped (CH)x. Synth. Met. 28, D141–D146 (1989)

    Google Scholar 

  409. E.J. Mele, M.J. Rice: Semiconductor-metal transition in doped polyacetylene. Phys. Rev. B 23, 5397–5412 (1981)

    ADS  Google Scholar 

  410. R.H. Baughman, N.S. Murthy, G.G. Miller, L.W. Shacklette, R.M. Metzger: Structure and properties of conducting polyacetylene complexes. J. Physique 44, C3, 53–59(1983)

    Google Scholar 

  411. E.M. Conwell, H.A. Mizes, S. Jeyadev: Metal-insulator transition in trans-polyacetylene. Phys. Rev. B 40, 1630 (1989)

    ADS  Google Scholar 

  412. S. Roth, H. Bleier: Solitons in polyacetylene. Adv. Phys. 36, 385–462 (1987)

    ADS  Google Scholar 

  413. K.L. Ngai, R.W. Rendell: “Dielectric and Conductivity Relaxations in Conducting Polymers” in Handbook of Conducting Polymers, ed. by T.A. Skotheim (Dekker, New York 1986) pp.967–1039

    Google Scholar 

  414. A.B. Kaiser: “Electronic Transport in Low-Conductivity Metals and Comparison with Highly Conducting Polymers” in Electronic Properties of Conjugated Polymers, ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid-State Sci., Vol. 76 (Springer, Berlin, Heidelberg 1987) pp.2–11

    Google Scholar 

  415. F.L. Carter (ed.): Molecular Electronics (Dekker, New York 1982)

    Google Scholar 

  416. S. Roth, G. Mahler, Y. Shen, F. Coter: Molecular electronics of conducting polymers. Synth. Met. 28, C815–C822 (1989)

    Google Scholar 

  417. T.D. Holstein, L.A. Turkevich: Field theory for the 1-D optical polaron. I Incorpation of the Goldstone mode and interaction with internal phonons. Phys. Rev. B 38, 1901–1937 (1988) and references therein

    ADS  Google Scholar 

  418. C. Kunz: Soliton diffusion in polyacetylene: memory-function formalism. Phys. Rev. B 34, 3288–3296 (1986)

    ADS  Google Scholar 

  419. N. Basescu, Z.-X. Liu, D. Moses, A.J. Heeger, H. Naarmann, N. Theophilou: Long mean free path coherent transport in doped polyacetylene, in Electronic Properties of Conjugated Polymers, ed. by H. Kuzmany, M. Mehring, S. Roth, Springer Ser. Solid-State Sci., Vol. 76 (Springer, Berlin, Heidelberg 1987) pp.18–22

    Google Scholar 

  420. Th. Schimmel, W. Riess, J. Gmeiner, G. Denninger, M. Schwoerer, H. Naarmann, N. Theophilou: DC-conductivity of a new type of highly conducting polyacetylene, N - (CH)x. Solid State Commun. 65, 1311–1315 (1988)

    ADS  Google Scholar 

  421. P. Sheng: Fluctuation-induced tunneling conduction in disordered materials. Phys. Rev. B 21, 2180–2195 (1980)

    ADS  Google Scholar 

  422. E.M. Conwell, H.A. Mizes: Conduction in metallic trans-polyacetylene. Synth. Met. 38, 319–329(1990)

    Google Scholar 

  423. L. Pietronero: Ideal conductivity of carbon π polymers and intercalation compounds. Synth. Met. 8, 225–231 (1983)

    Google Scholar 

  424. S. Kivelson, A.J. Heeger: Intrinsic conductivity of conducting polymers. Synth. Met. 22, 371–384(1988)

    Google Scholar 

  425. D.S. Boudreaux, R.R. Chance, J.F. Solf, L.W. Shacklette, J.-L. Brédas, B. Thémans, J.M. André, R. Silbey: Theoretical studies on polyaniline. J. Chem. Phys. 85,4584–4590(1986)

    ADS  Google Scholar 

  426. J.E. Hirsch: “Monte Carlo Simulation of Models for Low-Dimensional Conductors” in Low-Dimensional Conductors and Superconductors, ed. by D. Jérome, L.G. Caron, NATO ASI Series B, Vol. 155 (Plenum, New York 1987) pp.71–86

    Google Scholar 

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Authors
  1. Dionys Baeriswyl
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  2. David K. Campbell
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  3. Sumit Mazumdar
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  1. Paul Scherrer Institut Zürich, Badenerstrasse 569, CH-8048, Zürich, Switzerland

    Helmut G. Kiess

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Baeriswyl, D., Campbell, D.K., Mazumdar, S. (1992). An Overview of the Theory of π-Conjugated Polymers. In: Kiess, H.G. (eds) Conjugated Conducting Polymers. Springer Series in Solid-State Sciences, vol 102. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-46729-5_2

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