Software update: the ORCA program system, version 4.0

This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the first article in 2012.

Bibliographic Details
Published in:WIREs Computational Molecular Science
Main Author: Neese, F.
Format: Article in Journal/Newspaper
Language:English
Published: 2018
Subjects:
Online Access:http://hdl.handle.net/21.11116/0000-0007-6F5D-6
Description
Summary:This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the first article in 2012.