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Diffusion Monte Carlo method: Numerical Analysis in a Simple Case

Mohamed El Makrini, Benjamin Jourdain, Tony Lelièvre (2007)

ESAIM: Mathematical Modelling and Numerical Analysis


The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a fixed number of random walkers evolving according to a stochastic differential equation discretized in time. We allow stochastic reconfigurations of the walkers to reduce the discrepancy between the weights that they carry. On a simple one-dimensional example, we prove...

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