The augmented Roothaan–Hall method for optimizing Hartree–Fock and Kohn–Sham density matrices

Published 2008 View Full Article

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Title
The augmented Roothaan–Hall method for optimizing Hartree–Fock and Kohn–Sham density matrices
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 129, Issue 12, Pages 124106
Publisher
AIP Publishing
Online
2008-09-26
DOI
10.1063/1.2974099
References
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