• 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