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Title: Systematic comparison and cross-validation of fixed-node diffusion Monte Carlo and phaseless auxiliary-field quantum Monte Carlo in solids

Authors:
ORCiD logo [1];  [2];  [1];  [3]; ORCiD logo [4];  [5]
+ Show Author Affiliations
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Univ. de Toulouse, Toulouse (France). Lab. de Chimie et Physique Quantiques; Centre National de la Recherche Scientifique (CNRS), Toulouse (France)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
  5. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); French National Research Agency (ANR)
OSTI Identifier:
1684690
Alternate Identifier(s):
OSTI ID: 1738899; OSTI ID: 1772041
Report Number(s):
LLNL-JRNL-811234; SAND-2021-2925J
Journal ID: ISSN 2469-9950; TRN: US2204082
Grant/Contract Number:  
AC05-00OR22725; NA0003525; AC02-06CH11357; AC52-07NA27344; ANR-18-CE30-0025-02; AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 102; Journal Issue: 16; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Malone, Fionn D., Benali, Anouar, Morales, Miguel A., Caffarel, Michel, Kent, Paul C., and Shulenburger, Luke. Systematic comparison and cross-validation of fixed-node diffusion Monte Carlo and phaseless auxiliary-field quantum Monte Carlo in solids. United States: N. p., 2020. Web. doi:10.1103/physrevb.102.161104.
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Malone, Fionn D., Benali, Anouar, Morales, Miguel A., Caffarel, Michel, Kent, Paul C., & Shulenburger, Luke. Systematic comparison and cross-validation of fixed-node diffusion Monte Carlo and phaseless auxiliary-field quantum Monte Carlo in solids. United States. https://doi.org/10.1103/physrevb.102.161104
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Malone, Fionn D., Benali, Anouar, Morales, Miguel A., Caffarel, Michel, Kent, Paul C., and Shulenburger, Luke. Wed . "Systematic comparison and cross-validation of fixed-node diffusion Monte Carlo and phaseless auxiliary-field quantum Monte Carlo in solids". United States. https://doi.org/10.1103/physrevb.102.161104. https://www.osti.gov/servlets/purl/1684690.
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@article{osti_1684690,
title = {Systematic comparison and cross-validation of fixed-node diffusion Monte Carlo and phaseless auxiliary-field quantum Monte Carlo in solids},
author = {Malone, Fionn D. and Benali, Anouar and Morales, Miguel A. and Caffarel, Michel and Kent, Paul C. and Shulenburger, Luke},
abstractNote = {},
doi = {10.1103/physrevb.102.161104},
journal = {Physical Review B},
number = 16,
volume = 102,
place = {United States},
year = {Wed Oct 07 00:00:00 EDT 2020},
month = {Wed Oct 07 00:00:00 EDT 2020}
}
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https://doi.org/10.1103/physrevb.102.161104
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