Article ID Journal Published Year Pages File Type
521628 Journal of Computational Physics 2009 15 Pages PDF
Abstract

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.

Related Topics
Physical Sciences and Engineering Computer Science Computer Science Applications
Authors
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