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

collaborators
Showing physics.chem-phShow all

2 papers · 1 filter

physics.chem-ph2017

Projector quantum Monte Carlo with averaged vs. explicit spin-orbit effects: applications to tungsten molecular systems

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

We present a recently developed projector quantum Monte Carlo method for calculations of electronic structure in systems with spin-orbit interactions. The method solves for many-bo…

physics.chem-ph2017★ 124 cited

A New Generation of Effective Core Potentials for Correlated Calculations

M. Chandler Bennett, Cody A. Melton, Abdulgani Annaberdiyev +3

We outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by rec…