activity
20152022
most citedQMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids

290 citations · 872 across the 16 of their papers we have counts for

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Showing 2016Show all

2 papers · 1 filter

physics.comp-ph2016★ 3 cited

Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum Monte Carlo

Cody A. Melton, Lubos Mitas

We compare the fixed-phase approximation with the better known, but closely related fixed-node approximation on several testing examples. We found that both approximations behave v…

physics.comp-ph2016★ 23 cited

Quantum Monte Carlo with Variable Spins

Cody A. Melton, M. Chandler Bennett, Lubos Mitas

We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interact…