Title of article
QWalk: A quantum Monte Carlo program for electronic structure
Author/Authors
Wagner، نويسنده , , Lucas K. and Bajdich، نويسنده , , Michal and Mitas، نويسنده , , Lubos، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
15
From page
3390
To page
3404
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.
Keywords
Monte Carlo , Stochastic Methods , Quantum mechanics
Journal title
Journal of Computational Physics
Serial Year
2009
Journal title
Journal of Computational Physics
Record number
1481429
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