Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo. (2014)
Attributed to:
Quantum Monte Carlo simulations on ten thousand to a million cores
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