Explicit solvent model for quantum Monte Carlo

Journal of Physical Chemistry Letters

Volumn 1, Issue 23, 2010, Pages 3376-3379

  Cho, Hyung Min ^b   Lester Jr , William A ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b NONE

Author keywords

General Theory; Molecular Structure; Quantum Chemistry

Indexed keywords

AB INITIO APPROACH; EFFECTIVE COUPLING; EXPLICIT SOLVENTS; FORCE FIELDS; GENERAL THEORY; HYDROGEN BONDED SYSTEMS; QUANTUM MONTE CARLO; SHORT DISTANCES; SOLUTE-SOLVENT INTERACTION; SOLVENT NUCLEI;

HAMILTONIANS; MECHANICS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; QUANTUM CHEMISTRY; QUANTUM THEORY;

SOLVENTS;

EID: 78649974511     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz101336e     Document Type: Article

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