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Software update: the ORCA program system, version 4.0

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2017

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Author / responsible party
Frank Neese
Publisher
Wiley Interdisciplinary Reviews Computational Molecular Science
Year
2017
Language
English

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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 Theory > Ab Initio Electronic Structure Methods Electronic Structure Theory > Density Functional Theory Software > Quantum Chemistry

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APA 7

Neese, F. (2017). Software update: the ORCA program system, version 4.0. https://doi.org/10.1002/wcms.1327

MLA

Neese, Frank. "Software update: the ORCA program system, version 4.0." 2017. https://doi.org/10.1002/wcms.1327.

Chicago

Neese, Frank. 2017. "Software update: the ORCA program system, version 4.0.". https://doi.org/10.1002/wcms.1327.

Harvard

Neese, F. 2017, Software update: the ORCA program system, version 4.0, Wiley Interdisciplinary Reviews Computational Molecular Science, available at: https://doi.org/10.1002/wcms.1327 [Accessed 7 Aug. 2026].

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Title
Software update: the ORCA program system, version 4.0
Author / contributors
Frank Neese
Publisher
Wiley Interdisciplinary Reviews Computational Molecular Science
Publication year
2017
Language
English

Subjects

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Electronic structure; Density functional theory; Ab initio; Software; Computer science; Computational chemistry; Theoretical computer science; Chemistry; Physics; Quantum mechanics; Programming language
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