A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias. (2019)

First Author: Zen A
Attributed to:  Tier 2 Hub in Materials and Molecular Modelling funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.5119729

PubMed Identifier: 31594339

Publication URI: http://europepmc.org/abstract/MED/31594339

Type: Journal Article/Review

Volume: 151

Parent Publication: The Journal of chemical physics

Issue: 13

ISSN: 0021-9606