Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo
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Title
Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 18, Pages 181101
Publisher
AIP Publishing
Online
2018-05-08
DOI
10.1063/1.5029508
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