Efficiency of nested Markov chain Monte Carlo for polarizable potentials and perturbed hamiltonians

International Journal of Quantum Chemistry

Volumn 110, Issue 13, 2010, Pages 2347-2354

  Calvo, Florent ^a  

^a UNIVERSITÉ LYON 1   (France)

Author keywords

Auxiliary potential; Monte Carlo methods; Sampling efficiency

Indexed keywords

HAMILTONIANS; MARKOV PROCESSES; MOLECULAR PHYSICS; POLARIZATION; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY;

AUXILIARY POTENTIAL; ENERGY DIFFERENCES; MARKOV CHAIN MONTE-CARLO; POLARIZABLE POTENTIAL; QUANTUM MECHANICAL; REFERENCE SYSTEMS; SAMPLING EFFICIENCY; SUCCESSIVE DIAGONALIZATION;

MONTE CARLO METHODS;

EID: 77958028868     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22533     Document Type: Conference Paper

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