Quantum diffusion computations of two-electron ground-state energies
- 1 November 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 36 (9) , 4531-4534
- https://doi.org/10.1103/physreva.36.4531
Abstract
A quantum Monte Carlo technique to compute ground-state energies of He, , and is described. Coordinates appropriate to a molecular description of atoms are used, and results with good accuracy are obtained upon input of essentially just reduced masses and the nuclear charge. The method minimizes the need to construct sophisticated variational or basis functions.
Keywords
This publication has 17 references indexed in Scilit:
- Monte Carlo MethodsPublished by Wiley ,1986
- Molecular Description of Two-Electron AtomsPhysical Review Letters, 1986
- Quantum chemistry by quantum monte carlo: Beyond ground‐state energy calculationsInternational Journal of Quantum Chemistry, 1986
- Quantum Monte CarloScience, 1986
- Wannier threshold theory for the Coulomb break-up of three-particle systemsJournal of Physics B: Atomic and Molecular Physics, 1984
- Correlations of two excited electronsReports on Progress in Physics, 1983
- Fixed-node quantum Monte Carlo for moleculesa) b)The Journal of Chemical Physics, 1982
- Quantum chemistry by random walk. H 2P, H+3 D3h 1A′1, H2 3Σ+u, H4 1Σ+g, Be 1SThe Journal of Chemical Physics, 1976
- Energy of a Boson Fluid with Lennard-Jones PotentialsPhysical Review A, 1970
- Quantum Mechanics of One- and Two-Electron AtomsPublished by Springer Nature ,1957