Skip to main content
Log in

Calculation of trans-butadiene by the pople-santry-segal method with configurational interaction: Role of the σπ — States in the spectra of hydrocarbons

  • Brief Communications and Letters to the Editor
  • Published:
Soviet Physics Journal Aims and scope

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. R. Pariser and R. Parr, J. Chem. Phys.,21, 767 (1953).

    Google Scholar 

  2. J. W. Sidman, J. Chem. Phys.,27, 429 (1957).

    Google Scholar 

  3. R. Buenker and J. L. Whitten, J. Chem. Phys.,49, 5381 (1968).

    Google Scholar 

  4. R. Hoffmann, J. Chem. Phys.,40, 2047 (1964).

    Google Scholar 

  5. M. D. Newton, F. P. Boer, and W. N. Limpscomb, J. Amer. Chem. Soc.,88, 2367 (1966).

    Google Scholar 

  6. R. S. Mulliken, Rev. Mod. Phys.,14, 765 (1942).

    Google Scholar 

  7. D. F. Evans, J. Chem. Phys.,17, 35 (1960).

    Google Scholar 

  8. S. Jones, Analyt. Chem.,27, 228 (1955).

    Google Scholar 

  9. J. A. Pople, G. A. Segal, and D. P. Santry, J. Chem. Phys.,43, 5129 (1965).

    Google Scholar 

  10. J. A. Pople and G. A. Segal, J. Chem. Phys.,43, 136 (1965);44, 3289 (1966).

    Google Scholar 

  11. J. Del Bene and H. H. Jaffe, J. Chem. Phys.,48, 1807 (1968).

    Google Scholar 

  12. B. F. Minaev, Teor. Éksp. Khim. (in press).

  13. D. S. McClure, J. Chem. Phys.,20, 682 (1952).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 146–147, April, 1971.

The energy in all the tables is in eV, lengths in Å

Rights and permissions

Reprints and permissions

About this article

Cite this article

Minaev, B.F. Calculation of trans-butadiene by the pople-santry-segal method with configurational interaction: Role of the σπ — States in the spectra of hydrocarbons. Soviet Physics Journal 14, 555–556 (1971). https://doi.org/10.1007/BF00817998

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00817998

Keywords

Navigation