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.
Aspuru-Guzik
Alán
A
Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California at Berkeley, Berkeley, California 94720-1460, USA. alan@aspuru.com
Salomón-Ferrer
Romelia
R
Austin
Brian
B
Perusquía-Flores
Raul
R
Griffin
Mary A
MA
Oliva
Ricardo A
RA
Skinner
David
D
Domin
Dominik
D
Lester
William A
WA