Fixed-sample optimization in quantum Monte Carlo using a probability density function
- 25 July 1997
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 273 (5-6) , 321-328
- https://doi.org/10.1016/s0009-2614(97)00525-3
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic moleculesThe Journal of Chemical Physics, 1996
- Electron Correlation Effects in MoleculesThe Journal of Physical Chemistry, 1996
- Fixed-node quantum Monte CarloInternational Reviews in Physical Chemistry, 1995
- A diffusion Monte Carlo algorithm with very small time-step errorsThe Journal of Chemical Physics, 1993
- Correlated Monte Carlo wave functions for the atoms He through NeThe Journal of Chemical Physics, 1990
- Wave function optimization with a fixed sample in quantum Monte CarloThe Journal of Chemical Physics, 1990
- Quantum chemistry by random walk: Application to the potential energy surface for F+H2→HF+HThe Journal of Chemical Physics, 1987
- H + H2 reaction barrier: A fixed-node quantum Monte Carlo studyThe Journal of Chemical Physics, 1985
- Fixed-node quantum Monte Carlo for moleculesa) b)The Journal of Chemical Physics, 1982
- Molecular Schrödinger Equation. II. Monte Carlo Evaluation of IntegralsThe Journal of Chemical Physics, 1964