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Calculation of the electronic structure of the octahedral clusters in vo by the Xα discrete variation method and by the Xα scattered wave method

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Literature cited

  1. K. H. Johnson, Adv. Quantum Chem.,7, 143 (1973).

    Google Scholar 

  2. D. E. Ellis and G. H. Painter, Phys. Rev., B2 2887 (1970).

    Google Scholar 

  3. H. J. Goldschmidt, Interstitial Alloys, Butterworths, London (1967).

    Google Scholar 

  4. J. C. Slater, Quantum Theory of Molecules and Solids, Vol. 4, McGraw-Hill, New York (1974).

    Google Scholar 

  5. K. H. Johnson, F. Herman, and R. Kjellander, Proceedings of the NATO Advanced Institute on Electronic Structure, Namur, Belgium (1974).

  6. E. J. Baerends, D. E. Ellis, and P. Ros, Chem. Phys.,2, 41 (1973).

    Google Scholar 

  7. F. W. Averill and D. E. Ellis, J. Chem. Phys.,59, 6412 (1973).

    Google Scholar 

  8. J. W. D. Connolly, Modern Theoretical Chemistry, Vol. VI, Approximate Methods, Plenum Press, New York (1976).

    Google Scholar 

  9. F. Herman and S. Skillman, Atomic Structure Calculations, Prentice-Hall, Englewood Cliffs, New Jersey (1963).

    Google Scholar 

  10. K. Schwarz, Phys. Rev.,B5, 2466 (1972).

    Google Scholar 

  11. V. A. Gubanov, J. Weber, and J. W. Connolly, Chem. Phys.,11, 319 (1975).

    Google Scholar 

  12. J. G. Norman, Jr., J. Chem. Phys.,61, 4630 (1974).

    Google Scholar 

  13. D. D. Konowalow, P. Weinberger, J. L. Calais, and J. W. D. Connolly, Chem. Phys. Lett.,16, 81 (1972).

    Google Scholar 

  14. V. A. Gubanov, B. G. Kasimov, and E. Z. Kurmaev, J. Phys. Chem. Solids,36, 861 (1975).

    Google Scholar 

  15. R. E. Watson, Phys. Rev.,111, 1108 (1958).

    Google Scholar 

  16. M. Gupta and D. E. Ellis, J. Phys. Chem. Solids (in press).

  17. L. E. Mattheis, Phys. Rev.,B3, 290, 315 (1972).

    Google Scholar 

  18. C. J. Ballhausen and H. B. Gray, Molecular Orbital Theory, McGraw-Hill, New York (1964).

    Google Scholar 

  19. K. Hamrin, C. Nordling, and L. Kihlborg, Technical Report UUIP-692, Uppsala, Sweden (1970).

  20. R. Larsson, B. Folkesson, and G. Schon, Chimica Scripta,3, 88 (1973).

    Google Scholar 

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Institute of Chemistry, Urals Research Center, Academy of Sciences of the USSR. Northwestern University, Evanston, Illinois, USA. Translated from Zhurnal Strukturnoi Khimii, Vol. 17, No. 6, pp. 955–961, November–December, 1976.

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Gubanov, V.A., Ellis, D.E. & Chirkov, A.K. Calculation of the electronic structure of the octahedral clusters in vo by the Xα discrete variation method and by the Xα scattered wave method. J Struct Chem 17, 821–826 (1976). https://doi.org/10.1007/BF00746219

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  • DOI: https://doi.org/10.1007/BF00746219

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