Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

Journal of Chemical Physics

Volumn 141, Issue 24, 2014, Pages

  Hermes, Matthew R ^a   Hirata, So ^a,b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION ALGORITHMS; ELECTRONIC STRUCTURE; MOLECULAR PHYSICS; MONTE CARLO METHODS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS; STOCHASTIC SYSTEMS; TAYLOR SERIES;

ANHARMONIC POTENTIAL ENERGY; HIGH-DIMENSIONAL INTEGRALS; METROPOLIS MONTE CARLO; PARTIAL DERIVATIVES; SELF-CONSISTENT FIELD METHOD; STOCHASTIC ALGORITHMS; STOCHASTIC EVALUATIONS; TAYLOR SERIES APPROXIMATION;

ALGORITHMS;

EID: 84926191410     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4904220     Document Type: Article

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