Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory
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Title
Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 5, Pages 054112
Publisher
AIP Publishing
Online
2016-02-06
DOI
10.1063/1.4941093
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