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Electron propagator theory of molecular anions

J. Chem. Phys. 72, 5744 (1980); doi:10.1063/1.438994

Issue Date: 15 May 1980

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J. V. Ortiz B. and Yngve Öhrn
Quantum Theory Project, University of Florida, Gainesville, Florida 32611
Recent developments of self-energy approximations, using renormalization techniques, are applied to the problem of calculating molecular electron affinites as poles of the electron propagator. Particular emphasis is put on the size of orbital bases used. The CN and the Cl2 molecules are studied and the results show promising agreement with recent experiments. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
Permalink: http://link.aip.org/link/?JCPSA6/72/5744/1
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PACS

  • 31.10.+z
    Electronic structure of atoms and molecules: theory General theory of electronic structure, electronic transitions, and chemical binding
  • YEAR: 1980

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
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REFERENCES (29)
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  1. K. D. Jordan, Acc. Chem. Res. 12, 36 (1979).
  2. R. S. Berry, Chem. Rev. 69, 533 (1969).
  3. J. Simons, Ann. Rev. Phys. Chem. 28, 15 (1977).
  4. I. N. Bakalina and N. I. Ionov, Russ. J. Phys. Chem. 33, 286 (1959);
  5. J. T. Herron and V. H. Dibeler, J. Am. Chem. Soc. 82, 1555 (1960);
  6. R. Napper and F. M. Page, Trans. Faraday Soc. 59, 1086 (1963);
  7. M. Inoue, J. Chem. Phys. 43, 1061 (1966);
  8. F. M. Page, ibid. 49, 2466 (1969);
    9. J. Berkowitz, W. A. Chupka, and T. A. Walter, ibid. 50, 1497 (1969);
    J. J. DeCorpo, D. A. Bufus, and J. L. Franklin, ibid. 54, 1592 (1971);
    K. Lacmann and D. R. Herschbach, Chem. Phys. Lett. 6, 106 (1970);
    J. J. DeCorpo and J. L. Franklin, J. Chem. Phys. 54, 1885 (1971);
    W. A. Chupka, J. Berkowitz, and D. Gutman, ibid. 55, 2725 (1971);
    D. B. Dunkin, F. C. Fehsenfeld, and E. E. Ferguson, Chem. Phys. Lett. 15, 257 (1972);
    A. P. M. Baede, Physica (Utrecht) 59, 541 (1972);
    B. M. Hughes, C. Lifshitz, and T. O. Tiernan, J. Chem. Phys. 59, 3162 (1973);
    A. P. M. Baede, Adv. Chem. Phys. 30, 463 (1975);
    H. Dispert and K. Lacmann, Chem. Phys. Lett. 47, 533 (1977);
    J. L. Franklin and P. W. Harland, Ann. Rev. Phys. Chem. 25, 485 (1974).
  9. J. Berkowitz, W. A. Chupka, and T. A. Walter, J. Chem. Phys. 50, 1497 (1969);
    10. J. L. Carlsten, J. R. Peterson, and W. C. Lineberger, Chem. Phys. Lett. 37, 5 (1976).
  10. J. Linderberg and Y. Öhrn, Propagators in Quantum Chemistry (Academic, London, 1973).
  11. L. S. Cederbaum and W. Domcke, Advances in Chemical Physics, edited by X. Prigogine and X. Rice (Wiley, New York, 1977), Vol. 36, p. 205.
  12. J. Simons, Theor. Chem. Adv. Prosp. 3, 1 (1978).
  13. H. A. Kurtz and Y. Öhrn, J. Chem. Phys. 69, 1162 (1978);
    14. G. Born and Y. Öhrn, Chem. Phys. Lett. 61, 307 (1979).
  14. J. Linderberg and Y. Öhrn, Chem. Phys. Lett. 1, 295 (1967);
    15. G. D. Purvis and Y. Öhrn, J. Chem. Phys. 60, 4063 (1974);
    62, 2045 (1975);
    65, 917 (1976);
    Chem. Phys. Lett. 33, 396 (1975);
    Int. J. Quantum Chem. Symp. 11, 359 (1977);
    L. Tyner Redmon, G. D. Purvis, and Y. Öhrn, J. Chem. Phys. 63, 5011 (1975);
    C. Nehrkorn, G. D. Purvis, and Y. Öhrn, ibid. 64, 1752 (1976).
  15. B. T. Pickup and O. Goscinski, Mol. Phys. 26, 1013 (1973);
    16. see Ref. 6 and references therein.
  16. L. Hedin and S. Lundqvist, Solid State Phys. 23, 1 (1969).
  17. A. A. Abrikosov, L. P. Borkov, and I. E. Dzyaloshinski, Methods of Quantum Field Theory in Statistical Physics (Prentice-Hall, Englewood Cliffs, N.J., 1963).
  18. Y. Öhrn and J. Linderberg, Phys. Rev. 139, A1063 (1965).
  19. J. Linderberg and Y. Öhrn, Chem. Phys. Lett. 1, 295 (1967).
  20. Y. Öhrn, Excited States in Quantum Chemistry, NATO Advanced Study Institutes Series, edited by X. Nicolaides and X. Beck (Reidel, Dortrecht, 1978), p. 315.
  21. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
  22. G. Born, H. A. Kurtz, and Y. Öhrn, J. Chem. Phys. 68, 74 (1978);
    23. see also Ref. 6.
  23. D. Mattuck, A Guide to Feynman Diagrams in the Many-Body Problem (McGraw-Hill, New York, 1967).
  24. P. Schuck, F. Villars, and P. Ring, Nucl. Phys. A 208, 302 (1973).
  25. J. Schirmer and L. S. Cederbaum, J. Phys. B 11, 1889 (1978).
  26. G. Born and Y. Öhrn, Phys. Scrip. 21, 378 (1980).
  27. G. D. Purvis and Y. Öhrn, J. Chem. Phys. 65, 917 (1975);
    28. L. S. Cederbaum, ibid. 62, 2160 (1975).
  28. P. S. Bagus, Phys. Rev. 139, 619 (1965).
  29. J. Pacansky and B. Liu, J. Chem. Phys. 66, 4818 (1977).
  30. T. H. Dunning and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer III (Plenum, New York, 1977).
  31. T. L. Gilbert and A. C. Wahl, J. Chem. Phys. 55, 5247 (1971).
  32. A. E. Douglas, C. K. Moeller, and B. P. Stoicheff, Can. J. Phys. 41, 1174 (1963).
  33. H. Dispert and K. Lacmann, Chem. Phys. Lett. 47, 533 (1977).

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