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arXiv · 0907.0879

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

R. Gaudoin·J. M. Pitarke
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Abstract

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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R. Gaudoin, J. M. Pitarke. 2009-07-06. An efficient method for the Quantum Monte Carlo evaluation of the static density-response function of a many-electron system. https://doi.org/10.1103/physrevb.81.245116

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