ORCA (quantum chemistry program)

ORCA
DevelopersFrank Neese, FACCTs GmbH
Stable release
6.1.1Edit this on Wikidata / 2 December 2025 (2 December 2025)
Written inC++
Operating systemLinux, Microsoft Windows, macOS
TypeComputational chemistry
LicenseAcademic, Commercial
Websitewww.faccts.de/orca/ Edit this at Wikidata
Annual citations to ORCA according to FACCTs

ORCA is a general-purpose quantum chemistry package featuring a variety of methods including semi-empirical, density functional theory, many-body perturbation, coupled cluster, and multireference methods. ORCA provides an easy-to-learn input structure and thus high accessibility of quantum chemical approaches and workflows. The ORCA program package is mainly developed by Frank Neese, the department of molecular theory and spectroscopy at the Max-Planck-Institut für Kohlenforschung (MPI KoFo), and the FACCTs GmbH which also manages commercial licensing to industry. ORCA is generally freely available for academic use.

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