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Showing 1 to 1 of 1 for “"population control bias"”.
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Energetics of neutral interstitials in germanium
… of DFT, DMC, or both. If the DMC energies are biased, the most likely source is the fixed node error. Further calculations should be performed with better wavefunctions to resolve this concern, perhaps using fast multideterminant expansions beginning to be applied to condensed systems. A novel …