Publication | Open Access
Is there a zeroth order time-step error in diffusion quantum Monte Carlo?
12
Citations
22
References
1987
Year
Numerical AnalysisQuantum DynamicEngineeringOrder Time-step ErrorStochastic ProcessesAnomalous DiffusionQuantum SciencePhysicsMonte CarloProbability TheorySequential Monte CarloStochastic Differential EquationUnbiased Probability DistributionNatural SciencesMonte Carlo MethodApplied PhysicsStochastic CalculusDiffusion ProcessTime Step τFinite τ
It is demonstrated that the short-time Green’s function often used in diffusion quantum Monte Carlo simulations of the Schrödinger equation generates an unbiased probability distribution in the limit of vanishing time step τ. For finite τ, an error is introduced into the potential which is of O(τ). An expression for this term is derived.
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