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...

Celý popis

Podrobná bibliografia

Vydané v:	Wiley interdisciplinary reviews. Computational molecular science Ročník 15; číslo 2; s. e70019 - n/a
Hlavný autor:	Neese, Frank
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Hoboken, USA Wiley Periodicals, Inc 01.03.2025 Wiley Subscription Services, Inc
Predmet:	ab initio calculations density functional theory embedding methods global optimization Quantum chemistry Salience
ISSN:	1759-0876, 1759-0884
On-line prístup:	Získať plný text
Tagy:	Pridať tag Žiadne tagy, Buďte prvý, kto otaguje tento záznam!