skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on June 19, 2020

Title: Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo

Abstract

This Perspective contrasts first and second derivative methods in variational Monte Carlo and presents a hybrid optimization approach that combines their advantages.

Authors:
 [1]; ORCiD logo [2]
  1. Department of Physics, University of California, Berkeley, USA
  2. Department of Chemistry, University of California, Berkeley, USA, Chemical Sciences Division
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1529687
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 21 Journal Issue: 27; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Otis, Leon, and Neuscamman, Eric. Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CP02269D.
Otis, Leon, & Neuscamman, Eric. Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo. United Kingdom. doi:10.1039/C9CP02269D.
Otis, Leon, and Neuscamman, Eric. Wed . "Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo". United Kingdom. doi:10.1039/C9CP02269D.
@article{osti_1529687,
title = {Complementary first and second derivative methods for ansatz optimization in variational Monte Carlo},
author = {Otis, Leon and Neuscamman, Eric},
abstractNote = {This Perspective contrasts first and second derivative methods in variational Monte Carlo and presents a hybrid optimization approach that combines their advantages.},
doi = {10.1039/C9CP02269D},
journal = {Physical Chemistry Chemical Physics},
number = 27,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 19, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112