- Published
- 2022-03-07
- Venue
- Wiley Interdisciplinary Reviews Computational Molecular Science, vol. 12, no. 5
- Cited by
- 5,014
- Open access
- Yes, hybrid
- DOI
- 10.1002/wcms.1606
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
Cite this paper
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- APA 7
Neese, F. (2022). Software update: The ORCA program system—Version 5.0. Wiley Interdisciplinary Reviews Computational Molecular Science, 12(5). https://doi.org/10.1002/wcms.1606
- MLA 9
Neese, Frank. "Software update: The ORCA program system—Version 5.0." Wiley Interdisciplinary Reviews Computational Molecular Science, vol. 12, no. 5, 2022, https://doi.org/10.1002/wcms.1606.
- Chicago
Neese, Frank. "Software update: The ORCA program system—Version 5.0." Wiley Interdisciplinary Reviews Computational Molecular Science 12, no. 5 (2022). https://doi.org/10.1002/wcms.1606.
- GOST
Neese F. Software update: The ORCA program system—Version 5.0 // Wiley Interdisciplinary Reviews Computational Molecular Science. — 2022. — Vol. 12, № 5. — URL: https://doi.org/10.1002/wcms.1606
- BibTeX
@article{neese2022software, title = {{Software update: The ORCA program system—Version 5.0}}, author = {Frank Neese}, journal = {Wiley Interdisciplinary Reviews Computational Molecular Science}, year = {2022}, volume = {12}, number = {5}, doi = {10.1002/wcms.1606}, url = {https://doi.org/10.1002/wcms.1606} }- RIS
TY - JOUR AU - Neese, Frank TI - Software update: The ORCA program system—Version 5.0 JO - Wiley Interdisciplinary Reviews Computational Molecular Science VL - 12 IS - 5 PY - 2022 DA - 2022/03/07 DO - 10.1002/wcms.1606 UR - https://doi.org/10.1002/wcms.1606 ER -