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This content will become publicly available on May 8, 2019

Title: Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo

Authors:
ORCiD logo [1] ;  [2]
  1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA
  2. Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795, USA
Publication Date:
Grant/Contract Number:
Grant no. DE-SC0001303
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 18; Related Information: CHORUS Timestamp: 2018-05-08 09:25:31; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1436372