An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations

Journal of Computational Chemistry

Volumn 29, Issue 14, 2008, Pages 2335-2343

  Fisher, Daniel R ^a   Kent IV, David R ^a   Feldmann, Michael T ^a   Goddard III, William A ^a  

^a California Institute of Technology   (United States)

Author keywords

Parallel computing; Parallel efficiency; Quantum Monte Carlo; Walker initialization

Indexed keywords

DETRIMENTAL EFFECTS; ELECTRONIC CONFIGURATIONS; ENERGETIC MATERIALS; EXPECTATION VALUES; HIGH PROBABILITY; INITIALIZATION METHODS; MARKOV CHAINS; METROPOLIS ALGORITHMS; PARALLEL CALCULATIONS; PARALLEL COMPUTING; PARALLEL EFFICIENCY; PROBABILITY DENSITIES; QMC CALCULATIONS; QUANTUM MONTE CARLO; QUANTUM MONTE CARLO CALCULATIONS; RUN-TIME; TRIAL FUNCTIONS; WALKER INITIALIZATION; WAVE FUNCTIONS;

CONTAMINATION; FERMI SURFACE; MONTE CARLO METHODS; PROBABILITY; RANDOM PROCESSES; STANDARDS;

MARKOV PROCESSES;

EID: 52649099363     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20965     Document Type: Article

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