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