Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies

Published 2009 View Full Article

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Title
Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 131, Issue 2, Pages 021101
Publisher
AIP Publishing
Online
2009-07-11
DOI
10.1063/1.3160670
References
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