Software Update: The <scp>ORCA</scp> Program System—Version 6.0
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.
Authors
- Frank Neese (ORCID: https://orcid.org/0000-0003-4691-0547)
Institutions
- Max-Planck-Institut für Kohlenforschung (DE)
Publication Details
- Journal
- Wiley Interdisciplinary Reviews Computational Molecular Science
- Published
- 2025-03-01
- DOI
- https://doi.org/10.1002/wcms.70019
- Citations
- 364
- Primary Topic
- Radiation Detection and Scintillator Technologies
- Type
- article
- Field-Weighted Citation Impact
- 685.32
Funders
- Max-Planck-Gesellschaft