Skip to main content
SpringerLink
Log in

Modified rotation transformation method for the calculation of repulsion integrals

  • Published:
Journal of Mathematical Chemistry Aims and scope Submit manuscript

Abstract

A modified rotation transformation method for two electron repulsion integrals is introduced in this paper. The percentage of nonzero matrix needed to perform the calculation is less than 30 in this method.

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

Access this article

Log in via an institution

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

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. D.M. Bishop, Group Theory and Chemistry(Clarendon Press, Oxford, 1973) p. 184.

    Google Scholar 

  2. M. Dupuis, J. Rys and H.F. King, J. Comput. Phys. 65 (1976) 111.

    CAS  Google Scholar 

  3. P.M.W. Gill, Adv. Quantum Chem. 25 (1994) 141.

    Article  CAS  Google Scholar 

  4. P.M.W. Gill, M. Head-Gorden and J.A. Pople, J. Phys. Chem. 94 (1990) 5564.

    Article  CAS  Google Scholar 

  5. M. Head-Gorden and J.A. Pople, J. Chem. Phys. 89 (1988) 5777.

    Article  Google Scholar 

  6. H.F. King and M. Dupuis, J. Comput. Phys. 21 (1976) 144.

    Article  Google Scholar 

  7. L.E. McMurchie and E.R. Davidson, J. Comput. Phys. 26 (1978) 218.

    Article  CAS  Google Scholar 

  8. D.H. Mooley, J.G. Fripial, B. Champague and J.M. Andre, Int. J. Quantum Chem., Quantum Chem. Symp. 27 (1993) 793.

    Google Scholar 

  9. S. Obara and H. Saika, J. Chem. Phys. 84 (1986) 3963.

    Article  CAS  Google Scholar 

  10. J.A. Pople and W.J. Hehre, J. Comput. Phys. 27 (1978) 161.

    Article  Google Scholar 

  11. J. Rys, M. Dupuis and H.F. King, J. Comput. Chem. 4 (1983) 154.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Nankai University, 300071, Tianjin, P.R. China

    Liu Jingjiang, Liu Fengying & Wang Yi

Authors
  1. Liu Jingjiang
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Liu Fengying
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Wang Yi
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Jingjiang, L., Fengying, L. & Yi, W. Modified rotation transformation method for the calculation of repulsion integrals. Journal of Mathematical Chemistry 22, 55–84 (1997). https://doi.org/10.1023/A:1019155326653

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1019155326653

Keywords

Search

Navigation