Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states

Published 2009 View Full Article

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Title
Excited-state spin-contamination in time-dependent density-functional theory for molecules with open-shell ground states
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 914, Issue 1-3, Pages 60-73
Publisher
Elsevier BV
Online
2009-08-04
DOI
10.1016/j.theochem.2009.07.036

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