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most citedEnergetics and Dipole Moment of Transition Metal Monoxides by Quantum Monte Carlo

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physics.comp-ph2007

QWalk: A Quantum Monte Carlo Program for Electronic Structure

Lucas K. Wagner, Michal Bajdich, Lubos Mitas

We describe QWalk, a new computational package capable of performing Quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons. We describe…