Skip to main content

Geometry optimization in quantum Monte Carlo with solution mapping: Application to formaldehyde

Journal Article · Wed Aug 06 00:00:00 EDT 2003 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1614212· OSTI ID:832758

Schuetz, C A ^[1]; Frenklach, M; Kollias, A C; Lester, Jr, W A

LBNL Library

No abstract prepared.

View Journal Article

Print

Research Organization:: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)

Sponsoring Organization:: USDOE Director. Office of Science. Office of Basic Energy Sciences. Chemical Sciences Geosciences and Biosciences Division (US)

DOE Contract Number:: AC03-76SF00098

OSTI ID:: 832758

Report Number(s):: LBNL--53858

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 18 Vol. 119; ISSN JCPSA6; ISSN 0021-9606

Country of Publication:: United States

Language:: English

Similar Records

Fixed-Sample optimization in quantum Monte Carlo using a probability density function

Journal Article · Tue Dec 31 23:00:00 EST 1996 · Chemical Physics Letters · OSTI ID:779701

Quantum Monte Carlo: Theory and Application to MolecularSystems

Journal Article · Fri Aug 06 00:00:00 EDT 2004 · Advances in Quantum Chemistry · OSTI ID:890628

Improved trial wave functions in quantum Monte Carlo: Application to acetylene and its dissociation fragments

Journal Article · Mon Dec 11 23:00:00 EST 2000 · Journal of Chemical Physics · OSTI ID:776640

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
FORMALDEHYDE
GEOMETRY
OPTIMIZATION