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Quantum similarity indices for atomic ionization processes

  • Atomic Physics
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Abstract.

Quantum similarity is investigated for neutral atoms and singly charged ions by means of their one-particle densities in both position and momentum spaces. As recently observed for neutral atoms, the analysis involving singly charged ions in momentum space provides relevant information concerning structure and periodicity properties. Momentum-space similarity is also revealed to be strongly related to the kind of ionization process the system suffers, to the structural characteristics of the momentum density as well as to the ionization potential.

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References

  • R. Carbó-Dorca, J. Arnau, L. Leyda, Int. J. Quantum Chem. 17, 1185 (1980)

    Article  Google Scholar 

  • R.F. Nalewajski, R.G. Parr, Proc. Natl. Acad. Sci. USA 97, 8879 (2000)

    Article  ADS  Google Scholar 

  • Fundamentals of molecular similarity, edited by R. Carbó-Dorca, X. Girones, P.G. Mezey (Kluwer Academic/Plenum Press, New York, 2001)

  • J. Cioslowski, A. Nanayakkara, J. Am. Chem. Soc. 115, 11213 (1993)

    Article  Google Scholar 

  • A.M. Richard, J. Comput. Chem. 12, 959 (1991)

    Article  Google Scholar 

  • R. Carbó-Dorca, L. Amat, E. Besalu, X. Girones, D. Robert, J. Mol. Struct. (Theochem) 504, 181 (2000)

    Article  Google Scholar 

  • N.L. Guevara, R.P. Sagar, R. Esquivel, J. Chem. Phys. 119, 7030 (2004)

    Article  ADS  Google Scholar 

  • R.P. Sagar, J.C. Ramírez, R. Esquivel, M. Ho, V.H. Smith Jr, Phys. Rev. A 63, 22509 (2001)

    Article  ADS  Google Scholar 

  • K.Ch. Chatzisavvas, Ch.C. Moustakidis, C.P. Panos, J. Chem. Phys. 123, 174111 (2005)

    Article  ADS  Google Scholar 

  • K.D. Sen, C.P. Panos, K.Ch. Chatzisavvas, Ch.C. Moustakidis, Phys. Lett. A 364, 286 (2007)

    Article  ADS  Google Scholar 

  • D. Robert, R. Carbó-Dorca, Int. J. Quantum Chem. 77, 685 (2000)

    Article  Google Scholar 

  • M. Solá, J. Mestres, J.M. Oliva, M. Durán, R. Carbó-Dorca, Int. J. Quantum Chem. 58, 361 (1996)

    Article  Google Scholar 

  • A. Borgoo, M. Godefroid, K.D. Sen, F. de Proft, P. Geerlings, Chem. Phys. Lett. 399, 363 (2004)

    Article  Google Scholar 

  • F. De Proft, P.W. Ayers, K.D. Sen, P. Geerlings, J. Chem. Phys. 120, 9969 (2004)

    Article  Google Scholar 

  • A. Borgoo, M. Godefroid, P. Indelicato, F. De Proft, P. Geerlings, J. Chem. Phys. 126, 44102 (2007)

    Article  Google Scholar 

  • N.L. Allan, D.L. Cooper, J. Math. Chem. 23, 51 (1998)

    Article  MATH  Google Scholar 

  • S.R. Gadre, S.B. Sears, S.J. Chakravorty, R.D. Bendale, Phys. Rev. A 32, 2602 (1985)

    Article  ADS  Google Scholar 

  • M. Hoffmann-Ostenhof, T. Hoffmann-Ostenhof, Phys. Rev. A 16, 1782 (1977)

    Article  ADS  MathSciNet  Google Scholar 

  • R. Benesch, V.H. Smith Jr, in Wave Mechanics: The First Fifty Years, edited by W.C. Price, S.S. Chissick, T. Ravensdale (Butterwoths, London, 1973), pp. 357–377

  • A.D. Becke, K.E. Edgecombe, J. Chem. Phys. 92, 5397 (1990)

    Article  ADS  Google Scholar 

  • A.J. Thakkar, in Theory and Applications of Computational Chemistry: The First 40 Years, edited by C.E. Dykstra, G. Frenking, K.S. Kim, G.E. Scuseria (Elsevier, Amsterdam, 2005), pp. 483–505

  • Compton scattering: the investigation of electron momentum distributions, edited by B.G. Williams (McGraw-Hill, New York, 1977)

  • W. Weyrich, P. Pattison, B.G. Williams, Chem. Phys. 41, 271 (1979)

    Article  Google Scholar 

  • J.C. Angulo, Phys. Rev. A 48, 4768 (1993)

    Article  ADS  Google Scholar 

  • T. Koga, H. Matsuyama, H. Inomata, E. Romera, J.S. Dehesa, A.J. Thakkar, J. Chem. Phys. 109, 1601 (1998)

    Article  ADS  Google Scholar 

  • T. Koga, H. Matsuyama, E. Romera, J.S. Dehesa, A.J. Thakkar, Phys. Rev. A 59, 4805 (1999)

    Article  ADS  Google Scholar 

  • G. Lindblad, Commun. Math. Phys. 33, 305 (1973)

    Article  ADS  MathSciNet  Google Scholar 

  • A. Wehrl, Rev. Mod. Phys. 50, 221 (1978)

    Article  ADS  MathSciNet  Google Scholar 

  • C. Fuchs, J. Van de Graaf, IEEE Trans. Inf. Theory 45, 1216 (1999)

    Article  MATH  Google Scholar 

  • C. Rao, IMS-Lecture Notes 10, 217 (1987)

    Google Scholar 

  • J. Lin, IEEE Trans. Inf. Theory 37, 145 (1991)

    Article  MATH  Google Scholar 

  • M.J.W. Hall, Phys. Rev. A 59, 2602 (1999)

    Article  ADS  MathSciNet  Google Scholar 

  • I. Varga, J. Pipek, Phys. Rev. E 68, 26202 (2003)

    Article  ADS  Google Scholar 

  • J.C. Angulo, J. Antolín, J. Chem. Phys. 126, 44106 (2007)

    Article  Google Scholar 

  • T. Koga, K. Kanayama, S. Watanabe, A.J. Thakkar, Int. J. Quantum Chem. 71, 491 (1999); T. Koga, K. Kanayama, T. Watanabe, T. Imai, A.J. Thakkar, Theor. Chem. Acc. 104, 411 (2000)

    Article  Google Scholar 

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Antolín, J., Angulo, J. Quantum similarity indices for atomic ionization processes. Eur. Phys. J. D 46, 21–26 (2008). https://doi.org/10.1140/epjd/e2007-00276-4

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