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
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
Journal title :
Journal of Computational Physics