Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism
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Title
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 3, Pages 034113
Publisher
AIP Publishing
Online
2017-07-21
DOI
10.1063/1.4994542
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