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Title: Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

Authors:
ORCiD logo [1] ;  [1]
  1. Department of Chemistry, Stanford University, Stanford, California 94305, USA
Publication Date:
Grant/Contract Number:
SC0014437
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 5; Related Information: CHORUS Timestamp: 2018-01-10 11:53:01; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1236991