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