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ORCA (quantum chemistry program)

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…

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Developers
Frank Neese, FACCTs GmbH
License
Academic, Commercial
Operating system
Linux, Microsoft Windows, macOS
Stable release
6.1.1 / 2 December 2025; 8 months ago (2 December 2025)
Type
Computational chemistry
Written in
C++

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  • MPn Møller–Plesset perturbation theory
  • QM/MM

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ORCA (quantum chemistry program)

Nodes24
Edges23
Triples7
Avg. degree1.92
Density0.083333
Components1

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ORCA (quantum chemistry program)

Top relations

Developers · 1
ORCA (quantum chemistry program) → Frank Neese, FACCTs GmbH
License · 1
ORCA (quantum chemistry program) → Academic, Commercial
Operating system · 1
ORCA (quantum chemistry program) → Linux, Microsoft Windows, macOS
Stable release · 1
ORCA (quantum chemistry program) → 6.1.1 / 2 December 2025; 8 months ago (2 December 2025)
Type · 1
ORCA (quantum chemistry program) → Computational chemistry
Website · 1
ORCA (quantum chemistry program) → www.faccts.de/orca/
Written in · 1
ORCA (quantum chemistry program) → C++

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Important terminology

orca neese quantum theory chemistry frank academic release package faccts gmbh also developers commercial perturbation development since dec featuring methods

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
ORCA (quantum chemistry program)DevelopersFrank Neese, FACCTs GmbH1.00infobox
ORCA (quantum chemistry program)LicenseAcademic, Commercial1.00infobox
ORCA (quantum chemistry program)Operating systemLinux, Microsoft Windows, macOS1.00infobox
ORCA (quantum chemistry program)Stable release6.1.1 / 2 December 2025; 8 months ago (2 December 2025)1.00infobox
ORCA (quantum chemistry program)TypeComputational chemistry1.00infobox
ORCA (quantum chemistry program)Websitewww.faccts.de/orca/1.00infobox
ORCA (quantum chemistry program)Written inC++1.00infobox

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