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Theoretical and Experimental Chemistry

, Volume 9, Issue 6, pp 613–618 | Cite as

Investigation of the characteristics of the nonempirical calculation of molecules with a basis set of Gaussian functions exp(−ar2)

  • M. D. Dolgushin
Article
  • 14 Downloads

Keywords

Gaussian Function Nonempirical Calculation 
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Literature cited

  1. 1.
    M. D. Dolgushin, Teor. i éksperim. Khim., 8, 91 (1972).Google Scholar
  2. 2.
    S. F. Boys, Proc. Roy. Soc., A200, 542 (1950).Google Scholar
  3. 3.
    H. Preuss, Integraltafeln zur Quantenchemie, Vol. 4, Springer-Verlag, (1960), p. 19.Google Scholar
  4. 4.
    H. Preuss, Z. Naturforsch, 11, 823 (1956).Google Scholar
  5. 5.
    J. Whitten, J. Chem. Phys., 39, 349 (1963).Google Scholar
  6. 6.
    J. Whitten, J. Chem. Phys., 44, 359 (1966).Google Scholar
  7. 7.
    J. Petke, J. Whitten, and A. Douglas, J. Chem. Phys., 51, 256 (1969).Google Scholar
  8. 8.
    S. Shih, R. Buenker, S. Peyerimhoff, and B. Wirsam, Theor. China. Acta, 18, 277 (1970).Google Scholar
  9. 9.
    J. F. Harrison, J. Chem. Phys., 46, 1115 (1967).Google Scholar
  10. 10.
    C. C. J. Roothaan, Rev. Mod. Phys., 23, 69 (1951).Google Scholar
  11. 11.
    Yu. A. Kruglyak, G. G. Dyadyusha, V. A. Kuprievich, L. M. Podol'skaya, and G. I. Kagan, Methods of Calculating the Electronic Structure and Spectra of Molecules [in Russian], Naukova Dumka, Kiev (1969).Google Scholar
  12. 12.
    E. Clementi, Zh. Strukt. Khim., 10, 354 (1969).Google Scholar
  13. 13.
    M. D. Dolgushin, I. S. Yashchenko, and Yu. A. Kruglyak, Teor. i éksperim. Khim., 7, 528 (1971).Google Scholar
  14. 14.
    M. C. Harrison, J. Chem. Phys., 41, 499 (1964).Google Scholar
  15. 15.
    J. W. Moskowitz and M. C. Harrison, J. Chem. Phys., 43, 3550 (1965).Google Scholar
  16. 16.
    L. J. Schaad and G. O. Morrell, J. Chem. Phys., 54, 1965 (1971).Google Scholar

Copyright information

© Plenum Publishing Corporation 1975

Authors and Affiliations

  • M. D. Dolgushin
    • 1
  1. 1.Institute of Theoretical PhysicsAcademy of Sciences of the Ukrainian SSRKiev

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