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Numerical models of potential in local density functional method

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Literature Cited

  1. C. F. Melius and W. A. Goddard III, Phys. Rev. A,10, No. 5, 1528–1540 (1974).

    Google Scholar 

  2. A. Zunger and M. L. Cohen, Phys. Rev. B,18, No. 10, 5449–5472 (1978).

    Google Scholar 

  3. J. C. Barthelat and Ph. Durand, Gaz. Chim. Ital.,108, No. 3, 225–236 (1978).

    Google Scholar 

  4. P. J. Hay, W. R. Wadt, and L. R. Kahn, J. Chem. Phys.,68, No. 7, 3059–3066 (1978).

    Google Scholar 

  5. A. Zunger, J. Vac. Sci. Technol.,16, No. 5, 1337–1348 (1979).

    Google Scholar 

  6. H. Preuss, H. Stoll, U. Wedig, and Th. Krüger, Int. J. Quantum Chem.,19, No. 1, 113–130 (1981).

    Google Scholar 

  7. Y. Sakai and S. Huzinaga, J. Chem. Phys.,76, No. 5, 2537–2551 (1982).

    Google Scholar 

  8. G. B. Bachelet, D. R. Hamann, and M. Schlütter, Phys. Rev. B,26, No. 8, 4199–4229 (1982).

    Google Scholar 

  9. S. Katsuki, M. Inokuchi, J. Phys. Soc. Jpn.,51, No. 11, 3652–3659 (1982).

    Google Scholar 

  10. S. Huzinaga, M. Klobukowski, and Y. Sakai, J. Phys. Chem.,88, No. 21, 4880–4886 (1984).

    Google Scholar 

  11. W. J. Stevens, H. Basch, and M. Krauss, J. Chem. Phys.,81, No. 12, 6026–6033 (1984).

    Google Scholar 

  12. P. S. Bagus, C. W. Bauschlicher Jr, C. J. Nelin, et al., J. Chem. Phys.,81, No. 8, 3594–3602 (1984).

    Google Scholar 

  13. J. Andzelm, E. Radzio, and D. R. Salahub, J. Chem. Phys.,83, No. 9, 4573–4580 (1985).

    Google Scholar 

  14. M. L. Cohen, “Aplications of the Fermi atomic pseudopotential to the electronic structure of nonmetals,” in: Highlights of Condensed Matter Theory: Proceedings of the International School of Physics, Enrico Fermi, Course LXXXIX, Varenna, Italy, June 28 to July 16, 1983, Vol. 89, F. Bassani, et al. (eds.), Elsevier, New York (1985), pp. 16–58.

    Google Scholar 

  15. P. J. Hay and W. R. Wadt, J. Chem. Phys.,82, No. 1, 284–298 (1985).

    Google Scholar 

  16. J. Schnitker and P. J. Rossky, J. Chem. Phys.,86, No. 6, 3462–3470 (1987).

    Google Scholar 

  17. C. Woodward and A. B. Kunz, Phys. Rev. B,37, No. 5, 2674–2677 (1988).

    Google Scholar 

  18. N. W. Winter, R. M. Pitzer, and D. K. Temple, J. Chem. Phys.,86, No. 6, 3549–3556 (1987).

    Google Scholar 

  19. J. G. Snijders and E. J. Baerends, Mol. Phys.,33, No. 6, 1651–1662 (1977).

    Google Scholar 

  20. S. Topiol, A. Zunger, and M. A. Ratner, Chem. Phys. Lett.,49, No. 2, 367–373 (1977).

    Google Scholar 

  21. R. Car, R. A. Meuli, and J. Buttet, J. Chem. Phys.,73, No. 9, 4511–4516 (1980).

    Google Scholar 

  22. A. Savin, U. Wedig, H. Stoll and H. Preuss, Chem. Phys. Lett.,92, No. 5, 503–508 (1982).

    Google Scholar 

  23. P. A. Christiansen, Y. S. Lee, and K. S. Pitzer, J. Chem. Phys.,71, No. 11, 4445–4450 (1979).

    Google Scholar 

  24. P. A. Christiansen and K. S. Pitzer, J. Chem. Phys.,73, No. 10, 5160–5164 (1980).

    Google Scholar 

  25. C. M. Rohlfing and P. J. Hay, J. Chem. Phys.,73, No. 9, 4641–4649 (1985).

    Google Scholar 

  26. E. V. Chulkov, I. Yu. Sklyadneva, and V. E. Panin, Fiz. Met. Metalloved.,56, No. 3, 445–454 (1983).

    Google Scholar 

  27. C. F. Melius, B. D. Olafson, and W. A. Goddard III, Chem. Phys. Lett.,28, No. 4, 457–462 (1974).

    Google Scholar 

  28. K. Schwarz, Phys. Rev. B,5, No. 7, 2466–2468 (1972).

    Google Scholar 

  29. S. Itoh and K. Nakao, J. Phys. Soc. Jpn.,54, No. 12, 4648–4656 (1985).

    Google Scholar 

  30. C. Roetti and E. Clementi, J. Chem. Phys.60, No. 12, 4725–4730 (1974).

    Google Scholar 

  31. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B,26, No. 4, 1738–1742 (1982).

    Google Scholar 

  32. G. L. Gutsev and A. A. Levin, Zh. Strukt. Khim.,20, No. 5, 771–780 (1979).

    Google Scholar 

  33. P. J. Hay and W. R. Wadt, J. Chem. Phys.,82, No. 1, 270–283 (1985).

    Google Scholar 

  34. P. J. Hay and W. R. Wadt, J. Chem. Phys.,82, No. 1, 299–310 (1985).

    Google Scholar 

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Authors
  1. V. A. Nasluzov
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  2. G. L. Gutsev
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  3. V. K. Gryaznov
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Additional information

Institute of Chemical Physics, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 6, pp. 3–8, November–December, 1990.

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Nasluzov, V.A., Gutsev, G.L. & Gryaznov, V.K. Numerical models of potential in local density functional method. J Struct Chem 31, 851–856 (1990). https://doi.org/10.1007/BF00752151

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