skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.1614212· OSTI ID:832758

No abstract prepared.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
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; JCPSA6; R&D Project: 401101; TRN: US0405663
Journal Information:
Journal of Chemical Physics, Vol. 119, Issue 18; Other Information: Journal Publication Date: 11/08/2003; PBD: 6 Aug 2003; 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 · Wed Jan 01 00:00:00 EST 1997 · Chemical Physics Letters · OSTI ID:832758

Improved trial wave functions in quantum Monte Carlo: Application to acetylene and its dissociation fragments
Journal Article · Tue Dec 12 00:00:00 EST 2000 · Journal of Chemical Physics · OSTI ID:832758

Two Generalizations from a Monte Carlo Study of Colloidal Solutions with Multivalent Electrolytes
Journal Article · Thu Feb 01 00:00:00 EST 2001 · Journal of Colloidan Interface Science · OSTI ID:832758