Open AccessBenchmarking the pseudopotential and fixed-node approximations in diffusion Monte Carlo calculations of molecules and solids
Author(s) -
Roman Nazarov,
Luke Shulenburger,
Miguel A. Morales,
Randolph Q. Hood
Publication year - 2016
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.93.094111
Subject(s) - pseudopotential , diffusion monte carlo , monte carlo method , node (physics) , statistical physics , benchmarking , diffusion , physics , field (mathematics) , molecule , quantum mechanics , monte carlo molecular modeling , mathematics , statistics , marketing , markov chain monte carlo , pure mathematics , business