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arxiv: 0912.3401 · v2 · submitted 2009-12-17 · ⚛️ physics.comp-ph · physics.chem-ph

Wavefunction correction scheme for non fixed-node diffusion Monte Carlo

classification ⚛️ physics.comp-ph physics.chem-ph
keywords fixed-nodecomputationscarlocorrectiondiffusionmonteschemewavefunction
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Wavefunction correction scheme, which was developed as a variance reduction tool for the pure and fixed-node diffusion Monte Carlo (DMC) computations by Anderson and Freihaut, is applied to the DMC computations of fermions without using the fixed-node constraint. This technique is found to be suitable for the non fixed-node calculations because of the significant decreases observed in the computation times for calculating results with certain statistical error values in the benchmark computations.

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