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arxiv: 0907.0879 · v2 · pith:KWPVL5HCnew · submitted 2009-07-06 · ❄️ cond-mat.other

An efficient method for the Quantum Monte Carlo evaluation of the static density-response function of a many-electron system

classification ❄️ cond-mat.other
keywords carlodensity-responseeffectefficientfunctionmany-electronmethodmonte
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In a recent Letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static density-response function of a many-electron system. Our analysis of the effect of the nodes suggests that correlation is described correctly and we find that the effect of the nodes can be dealt with.

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