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Erratum: "Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo" [J. Chem. Phys. 154, 214110 (2021)].

Authors :
Anderson, Tyler A.
Umrigar, C. J.
Source :
Journal of Chemical Physics; 8/21/2021, Vol. 155 Issue 7, p1-5, 5p
Publication Year :
2021

Abstract

Both the reweighting factor and the modified T-move algorithm proposed in this work contribute to reducing the time-step errors. Both the reweighting factor and the modified T-move algorithm proposed in this work contribute to reducing the time-step errors. We discovered a programming error and an error in some of the input files, which led us to recommend a reweighting factor that gives a positive and far from optimal time-step error. [Extracted from the article]

Details

Language :
English
ISSN :
00219606
Volume :
155
Issue :
7
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
152010944
Full Text :
https://doi.org/10.1063/5.0064840