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Title: Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo

Authors:
 [1] ;  [2]
  1. University of Illinois, Urbana, Illinois 61821, USA; Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA
  2. Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA
Publication Date:
Report Number(s):
LLNL-JRNL-667217
Journal ID: ISSN 0021-9606
Grant/Contract Number:
AC52-07NA27344; AC52-07NA27344U
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 23; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS; 74 ATOMIC AND MOLECULAR PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 97 MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
OSTI Identifier:
1265586
Alternate Identifier(s):
OSTI ID: 1228634; OSTI ID: 1234620