Software Update: The ORCA Program System—Version 6.0

ABSTRACT Version 6.0 of the ORCA quantum chemistry program suite was released in July 2024. ORCA 6.0 is a major turning point in the history of the program since it represents a near complete rewrite of the code base that leads to: (1) major performance improvements, (2) a clean and highly efficient...

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Veröffentlicht in:	Wiley interdisciplinary reviews. Computational molecular science Jg. 15; H. 2; S. e70019 - n/a
1. Verfasser:	Neese, Frank
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Hoboken, USA Wiley Periodicals, Inc 01.03.2025 Wiley Subscription Services, Inc
Schlagworte:	ab initio calculations density functional theory embedding methods global optimization Quantum chemistry Salience
ISSN:	1759-0876, 1759-0884
Online-Zugang:	Volltext
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