2007/10/23 by Wagner, Lucas K., Bajdich, Michal, Mitas, Lubos · 1 citation
#Atomic and Molecular Clusters (physics.atm-clus) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
paper · doi:10.48550/arxiv.0710.4361
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 the structure of the program and its implementation of Quantum Monte Carlo methods. It is open-source, licensed under the GPL, and available at the web site http://www.qwalk.org