QWalk: A Quantum Monte Carlo Program for Electronic Structure

Details QWalk: A Quantum Monte Carlo Program for Electronic Structure QWalk: A Quantum Monte Carlo Program for Electronic Structure

2007-10-23

arxiv.org/abs/0710.4361v1

Physics

Computational Physics

12 pages, 3 figures, describes code available at http://www.qwalk.org

Scientific paper

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

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