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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
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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

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References

REFERENCES

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