- Published
- 2025-03-01
- Venue
- Wiley Interdisciplinary Reviews Computational Molecular Science, vol. 15, no. 2
- Cited by
- 1,218
- Open access
- Yes, hybrid
- DOI
- 10.1002/wcms.70019
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 code base that greatly facilitates future development, (3) a large amount of new functionality, and (4) new interface capabilities that facilitate inter‐operability with other quantum chemistry program packages. The article describes the most salient features of the program.
Cite this paper
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- APA 7
Neese, F. (2025). Software Update: The ORCA Program System—Version 6.0. Wiley Interdisciplinary Reviews Computational Molecular Science, 15(2). https://doi.org/10.1002/wcms.70019
- MLA 9
Neese, Frank. "Software Update: The ORCA Program System—Version 6.0." Wiley Interdisciplinary Reviews Computational Molecular Science, vol. 15, no. 2, 2025, https://doi.org/10.1002/wcms.70019.
- Chicago
Neese, Frank. "Software Update: The ORCA Program System—Version 6.0." Wiley Interdisciplinary Reviews Computational Molecular Science 15, no. 2 (2025). https://doi.org/10.1002/wcms.70019.
- GOST
Neese F. Software Update: The ORCA Program System—Version 6.0 // Wiley Interdisciplinary Reviews Computational Molecular Science. — 2025. — Vol. 15, № 2. — URL: https://doi.org/10.1002/wcms.70019
- BibTeX
@article{neese2025software, title = {{Software Update: The ORCA Program System—Version 6.0}}, author = {Frank Neese}, journal = {Wiley Interdisciplinary Reviews Computational Molecular Science}, year = {2025}, volume = {15}, number = {2}, doi = {10.1002/wcms.70019}, url = {https://doi.org/10.1002/wcms.70019} }- RIS
TY - JOUR AU - Neese, Frank TI - Software Update: The ORCA Program System—Version 6.0 JO - Wiley Interdisciplinary Reviews Computational Molecular Science VL - 15 IS - 2 PY - 2025 DA - 2025/03/01 DO - 10.1002/wcms.70019 UR - https://doi.org/10.1002/wcms.70019 ER -