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

290 citations · 2.6k across the 62 of their papers we have counts for

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Showing 2021 · physics.comp-phShow all

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physics.comp-ph2021★ 2 cited

A quantum Monte Carlo study of systems with effective core potentials and node nonlinearities

Haihan Zhou, Anthony Scemama, Guangming Wang +4

We study beryllium dihydride (BeH) and acetylene (CH) molecules using real-space diffusion Monte Carlo (DMC) method. The molecules serve as perhaps the simplest prototy…

physics.comp-ph2021★ 6 cited

Weighted nodal domain averages of eigenstates for quantum Monte Carlo and beyond

Lubos Mitas, Abdulgani Annaberdiyev

We study the nodal properties of many-body eigenstates of stationary Schrödinger equation that affect the accuracy of real-space quantum Monte Carlo calculations. In particular, we…