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. WIREs Comput Mol Sci 2018, 8:e1327. doi: 10.1002/wcms.1327 This article is categorized under: Electronic Structure Th...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science Jg. 8; H. 1; S. e1327 - n/a
1. Verfasser:	Neese, Frank
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Hoboken, USA Wiley Periodicals, Inc 01.01.2018 Wiley Subscription Services, Inc
Schlagworte:	Computer programs Density functional theory Electronic structure Electrons High temperature superconductors Quantum chemistry Theories Upgrading
ISSN:	1759-0876, 1759-0884
Online-Zugang:	Volltext
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