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Molecular symmetry and multiconfiguration methods based on the Brillouin theorem
Published online by Cambridge University Press: 24 October 2008
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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