Theoretical and Experimental Chemistry

, Volume 8, Issue 4, pp 457–459 | Cite as

Calculation of the nondiagonal matrix elements of the Hamiltonian operator by the extended Hückel method

  • Yu. P. Nazarenko
  • Yu. I. Bratushko
  • K. B. Yatsimirskii
Brief Communications
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Keywords

Matrix Element Hamiltonian Operator Nondiagonal Matrix Element 

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Literature cited

  1. 1.
    V. A. Zasukha and L. M. Roev, Teor. i éksperim. Khim., 6, 608 (1970).Google Scholar
  2. 2.
    V. A. Zasukha and L. M. Roev, Teor. i éksperim. Khim., 6, 614 (1970).Google Scholar
  3. 3.
    V. A. Zasukha and L. M. Roev, Teor. i éksperim. Khim., 7, 8 (1971).Google Scholar
  4. 4.
    L. M. Roev and V. A. Zasukha, Dokl. Akad. Nauk Ukr. SSR, Ser. B., 434 (1970).Google Scholar
  5. 5.
    L. M. Roev and V. A. Zasukha, Zh. Fiz. Khim., 45, 322 (1971).Google Scholar
  6. 6.
    G. F. Kventsel' and G. I. Golodets, Zh. Fiz. Khim., 44, 2142 (1970).Google Scholar
  7. 7.
    Yu. A. Kruglyak and K. B. Yatsimirskii, Teor. i éksperim. Khim., 5, 308 (1969).Google Scholar
  8. 8.
    K. B. Yatsimirskii, Yu. P. Nazarenko, Yu. I. Bratushko, and Yu. A. Kruglyak, Teor. i éksperim. Khim., 6, 729 (1970).Google Scholar
  9. 9.
    Yu. A. Kruglyak, G. G. Dyadyusha, V. A. Kuprievich, L. M. Podol'skaya, and G. M. Kagan, Methods for the Calculation of the Electronic Structures and Spectra of Molecules [in Russian], Naukova Dumka, Kiev (1969), p. 108.Google Scholar
  10. 10.
    L. C. Cusachs, J. Chem. Phys., 43, 157 (1965).Google Scholar
  11. 11.
    S. W. Wheland, J. Am. Chem. Soc., 64, 900 (1942).Google Scholar
  12. 12.
    R. S. Mulliken, J. Chem. Phys., 46, 497 (1949).Google Scholar
  13. 13.
    M. Wolfsberg and L. Helmholz, J. Chem. Phys., 20, 837 (1952).Google Scholar
  14. 14.
    R. Hoffmann, J. Chem. Phys., 39, 1397 (1963).Google Scholar
  15. 15.
    R. Hoffmann, J. Chem. Phys., 40, 2480 (1964).Google Scholar
  16. 16.
    R. Hoffmann, J. Chem. Phys., 40, 2485 (1964).Google Scholar
  17. 17.
    E. Clementi, Analytical Self-Consistent-Field Functions. III. Isoelectronic Series with 19 to 30 Electrons, IBM Research Papers, R. J., 283, January 20, 1964.Google Scholar
  18. 18.
    J. Slater, Electronic Structure of Molecules, McGraw-Hill (1963).Google Scholar
  19. 19.
    B. J. Ransil, Rev. Mod. Phys., 32, 239 (1960).Google Scholar
  20. 20.
    D. L. Carroll and S. P. McGlynn, J. Chem. Phys., 45, 3827 (1966).Google Scholar
  21. 21.
    L. C. Cusachs, J. Chem. Phys., 45, 2717 (1966).Google Scholar

Copyright information

© Consultants Bureau 1974

Authors and Affiliations

  • Yu. P. Nazarenko
    • 1
  • Yu. I. Bratushko
    • 1
  • K. B. Yatsimirskii
    • 1
  1. 1.L. V. Pisarzhevskii Institute of Physical ChemistryAcademy of Sciences of the Ukrainian SSRKiev

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