Hostname: page-component-7bb8b95d7b-l4ctd Total loading time: 0 Render date: 2024-09-30T02:22:05.551Z Has data issue: false hasContentIssue false
  • English
  • Français

Molecular symmetry and multiconfiguration methods based on the Brillouin theorem

Published online by Cambridge University Press:  24 October 2008

R. S. Roberts
R. S. Roberts
Affiliation:
Department of Mathematical Sciences, University of Durham
Get access Rights & Permissions [Opens in a new window]

Abstract

The multiconfiguration method of Grein[3] based on the generalized Brillouin theorem is discussed and analysed, with particular emphasis on the use of molecular symmetry to reduce the amount of computing. Some results concerning the energy decrease in each iteration are also included.

Type
Research Article
Information
Mathematical Proceedings of the Cambridge Philosophical Society , Volume 97 , Issue 3 , May 1985 , pp. 551 - 570
Copyright
Copyright © Cambridge Philosophical Society 1985

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

[1]Adams, J. F.. Lectures on Lie Groups (W. A. Benjamin, 1969).Google Scholar
[2]Banerjee, A. and Grein, F.. International Journal of Quantum Chemistry 10 (1976), pp. 123.CrossRefGoogle Scholar
[3]Grein, F. and Chang, T. C.. Chem. Phys. Letters 12 (1971), pp. 44.CrossRefGoogle Scholar
[4]Levy, B. and Berthier, G.. International Journal of Quantum Chemistry 2 (1968), pp. 307.CrossRefGoogle Scholar
[5]Schonland, D. S.. Molecular Symmetry (D. Van Nostrand, 1965).Google Scholar
[6]Serre, J.-P.. Linear Representations of Finite Groups (Springer-Verlag, 1977).CrossRefGoogle Scholar