Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix
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Title
Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 149, Issue 10, Pages 104101
Publisher
AIP Publishing
Online
2018-09-11
DOI
10.1063/1.5044202
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