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20102018
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 846 across the 10 of their papers we have counts for

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Showing 2011Show all

2 papers · 1 filter

cond-mat.mtrl-sci2011★ 71 cited

Computing the energy of a water molecule using MultiDeterminants: A simple, efficient algorithm

Bryan K. Clark, Miguel A. Morales, Jeremy McMinis +2

Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jas…

cond-mat.str-el2011★ 74 cited

The momentum distribution of the homogeneous electron gas

Markus Holzmann, Bernard Bernu, Carlo Pierleoni +4

We calculate the off-diagonal density matrix of the homogeneous electron gas at zero temperature using unbiased Reptation Monte Carlo for various densities and extrapolate the mome…