Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 228, Issue 9, Pages 3390-3404Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2009.01.017
Keywords
Monte Carlo; Stochastic methods; Quantum mechanics
Funding
- NSF [EAR-0530110, DMR-0804549]
- DOE [DE-FG05-08OR23336]
- INCITE
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [804549] Funding Source: National Science Foundation
Ask authors/readers for more resources
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. (C) 2009 Elsevier Inc. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
