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Soft pseudopotentials for efficient quantum Monte Carlo calculations: From Be to Ne and Al to Ar

Journal Article · Thu Mar 01 23:00:00 EST 2001 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1364680· OSTI ID:783507

Ovcharenko, Ivan ^[1]; Aspuru-Guzik, Alan; Lester, Jr, William A

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Research Organization:: Lawrence Berkeley National Lab., CA (US)

Sponsoring Organization:: USDOE Director, Office of Science. Office of Basic Energy Studies. Division of Chemical Sciences (US)

DOE Contract Number:: AC03-76SF00098

OSTI ID:: 783507

Report Number(s):: LBNL--47855

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 18 Vol. 114; ISSN JCPSA6; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM
ARGON
BERYLLIUM
MONTE CARLO METHOD
NEON
POTENTIALS