Zori 1.0: A parallel quantum Monte Carlo electronic structure package

✍ Scribed by Alán Aspuru–Guzik; Romelia Salomón–Ferrer; Brian Austin; Raul Perusquía–Flores; Mary A. Griffin; Ricardo A. Oliva; David Skinner; Dominik Domin; William A. Lester Jr.

• Publisher: John Wiley and Sons
• Year: 2005
• Tongue: English
• Weight: 218 KB
• Volume: 26
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.20215

✦ Synopsis

Abstract

The Zori 1.0 package for electronic structure computations is described. Zori performs variational and diffusion Monte Carlo computations as well as correlated wave function optimization. This article presents an overview of the implemented methods and code capabilities. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 856–862, 2005