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

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.

References in corpus (2)

• Continuum variational and diffusion quantum Monte Carlo calculations
• Hellman-Feynman operator sampling in Diffusion Monte Carlo calculations

Cited by in corpus (4)

• Applications of quantum Monte Carlo methods in condensed systems
• Unbiased Reduced Density Matrices and Electronic Properties from Full Configuration Interaction Quantum Monte Carlo
• Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo
• Second-Order Perturbation Theory in Continuum Quantum Monte Carlo Calculations