QWalk: A Quantum Monte Carlo Program for Electronic Structure

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

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Computational Physics, Atomic and Molecular Clusters, Chemical Physics

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http://salesiana.dossiersoluciones.com/handle/123456789/140686

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0710.4361
 http://arxiv.org/abs/0710.4361

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arXiv