期刊
REPORTS ON PROGRESS IN PHYSICS
卷 74, 期 2, 页码 -出版社
IOP Publishing Ltd
DOI: 10.1088/0034-4885/74/2/026502
关键词
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资金
- Alexander von Humboldt foundation
- NSF [EAR-05301110, DMR-0804549, OCI-0904794]
- DOD/ARO
- DOE/LANL [DOE-DE-AC52-06NA25396]
- Direct For Computer & Info Scie & Enginr
- Office of Advanced Cyberinfrastructure (OAC) [0904794] Funding Source: National Science Foundation
Quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schrodinger equation for atoms, molecules, solids and a variety of model systems. The algorithms are intrinsically parallel and are able to take full advantage of present-day high-performance computing systems. This review paper concentrates on the fixed-node/fixed-phase diffusion Monte Carlo method with emphasis on its applications to the electronic structure of solids and other extended many-particle systems.
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