Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and Applications

Published 2013 View Full Article

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Title
Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and Applications
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 6, Pages 2761-2773
Publisher
American Chemical Society (ACS)
Online
2013-05-17
DOI
10.1021/ct300891k

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