Physical Review Letters · 1999 · 143 citations · 11 references
Natural SciencesMathematicsPhysicsAlgorithmsComputational PhysicsQuantum MechanicsComputational Quantum MechanicsComputational StatisticsMonte Carlo MethodsMonte Carlo SimulationSimulation MethodsStatistical MechanicsMonte Carlo AnalysisMonte Carlo EstimationQuantum Monte Carlo Algorithms
We present a general approach to greatly increase at little cost the efficiency of Monte Carlo algorithms. To each observable to be computed we associate a renormalized observable (improved estimator) having the same average but a different variance. By writing down the zero-variance condition a fundamental equation determining the optimal choice for the renormalized observable is derived (zero-variance principle for each observable separately). We show, with several examples including classical and quantum Monte Carlo calculations, that the method can be very powerful.
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Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
Roothaan-Hartree-Fock atomic wavefunctions
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