Skip to main content
Log in

A partial-parentage method of constructing a correct total wave function and implementation by computer for linear molecules

  • Brief Communications
  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Literature Cited

  1. Yu. G. Khait and V. I. Baranovskii, in: The Current State of the Theory of Atoms and Molecules [in Russian], Vilnius (1979), Part 2, p. 21.

  2. G. Das and A. C. Wahl, J. Chem. Phys.,56, 1769 (1972).

    Google Scholar 

  3. D. R. Yarkony, Ph.D. Thesis, University of California, Berkeley (1975).

  4. W. C. Swope, H. F. Shaefer, and D. R. Yarkony, J. Chem. Phys.,73, 407 (1980).

    Google Scholar 

  5. W. C. Swope, Ph.D. Thesis, University of California, Berkeley (1979).

  6. W. C. Swope, Y. P. Lee, and H. F. Shaefer, J. Chem. Phys.,71, 3761 (1979).

    Google Scholar 

  7. R. Pauncz, Alternate Molecular Orbital Methods, Saunders, Philadelphia (1969).

    Google Scholar 

  8. R. McWeeney and B. T. Stucliffe, Methods of Molecular Quantum Mechanics, Academic Press (1969).

  9. J. E. Grabenstetter, T. J. Tseng, and F. Grein, Int. J. Quant. Chem.,10, 143 (1976).

    Google Scholar 

  10. R. Pauncz, Int. J. Quant. Chem.,12, 369 (1977).

    Google Scholar 

  11. E. Rheingold et al., Combinatorial Algorithms: Theory and Practice, Prentice-Hall (1977).

Download references

Author information

Authors and Affiliations

Authors

Additional information

Translated from Zhurnal Strukturnoi Khimii, Vol. 26, No. 1, pp. 129–130, January–February, 1985.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Khait, Y.G., Lobanov, I.S. & Aver'yanov, A.S. A partial-parentage method of constructing a correct total wave function and implementation by computer for linear molecules. J Struct Chem 26, 108–110 (1985). https://doi.org/10.1007/BF00747772

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00747772

Keywords

Navigation