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Get Free AccessVersion 5.0 of the ORCA quantum chemistry program suite was released in July 2021. ORCA 5.0 represents a major improvement over all previous versions of ORCA and features (1) highly improved performance, (2) increased numerical robustness, (3) a host of new functionality, and (4) greatly improved user friendliness. The article describes the most salient features of the program. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Data Science > Computer Algorithms and Programming Software > Quantum Chemistry
Frank Neese (2022). Software update: The <scp>ORCA</scp> program system—Version 5.0. Wiley Interdisciplinary Reviews Computational Molecular Science, 12(5), DOI: 10.1002/wcms.1606.
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Type
Article
Year
2022
Authors
1
Datasets
0
Total Files
0
Language
English
Journal
Wiley Interdisciplinary Reviews Computational Molecular Science
DOI
10.1002/wcms.1606
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