An efficient hybrid orbital representation for quantum Monte Carlo calculations-Reference-Cited by-同舟云学术

An efficient hybrid orbital representation for quantum Monte Carlo calculations

Published:2018-08-28 Issue:8 Volume:149 Page:084107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Luo Ye¹^ORCID,Esler Kenneth P.²,Kent Paul R. C.³^ORCID,Shulenburger Luke⁴^ORCID

Affiliation:

1. Argonne Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, USA

2. Stone Ridge Technology, 2015 Emmorton Rd. Suite 204, Bel Air, Maryland 21015, USA

3. Center for Nanophase Materials Sciences and Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

4. HEDP Theory Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA

Funder

U.S. Department of Energy

Basic Energy Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5037094

Reference50 articles.

1. Quantum Monte Carlo simulations of solids

2. Continuum variational and diffusion quantum Monte Carlo calculations

3. Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

4. Accurate barrier heights using diffusion Monte Carlo

5. Fast and accurate quantum Monte Carlo for molecular crystals

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