Zori 1.0 a parallel quantum Monte Carlo electronic structure package

Zori 1.0 : a parallel quantum Monte Carlo electronic structure package

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

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 26(2005), 8 vom: 06. Juni, Seite 856-62
1. Verfasser: Aspuru-Guzik, Alán (VerfasserIn)
Weitere Verfasser: Salomón-Ferrer, Romelia, Austin, Brian, Perusquía-Flores, Raul, Griffin, Mary A, Oliva, Ricardo A, Skinner, David, Domin, Dominik, Lester, William A Jr
Format: Aufsatz
Sprache:English
Veröffentlicht: 2005
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article
Beschreibung
Zusammenfassung: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
Beschreibung:Date Completed 07.06.2005
Date Revised 17.05.2005
published: Print
Citation Status PubMed-not-MEDLINE
ISSN:1096-987X