Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
521628 | Journal of Computational Physics | 2009 | 15 Pages |
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
Lucas K. Wagner, Michal Bajdich, Lubos Mitas,