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Abstract Version 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
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Frank Neese
University of Stuttgart
Wiley Interdisciplinary Reviews Computational Molecular Science
Max-Planck-Institut für Kohlenforschung
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Frank Neese (Mon,) studied this question.
synapsesocial.com/papers/69d70a1965989f52c9ab3325 — DOI: https://doi.org/10.1002/wcms.1606