Open AccessQuantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo
Author(s) -
Allison L. Dzubak,
Jaron T. Krogel,
Fernando A. Reboredo
Publication year - 2017
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4991414
Subject(s) - monte carlo method , statistical physics , diffusion , kinetic monte carlo , physics , mathematics , thermodynamics , statistics