Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo. (2014)

First Author: Cox SJ

Attributed to: Quantum Monte Carlo made easy funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.4871873

PubMed Identifier: 24811651

Publication URI: http://europepmc.org/abstract/MED/24811651

Type: Journal Article/Review

Volume: 140

Parent Publication: The Journal of chemical physics

Issue: 17

ISSN: 0021-9606