MaterialsAtlas Software and Tool

ORCA

quantum-chemistryspectroscopymagnetismclusterssoftware-toolsmaterials-science-software

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Molecular quantum chemistry package frequently used for clusters, molecular materials, defects, spectroscopy, magnetism, and embedded models connected to materials problems.

Citation: ORCA. Materials science software/tool. https://orcaforum.kofo.mpg.de/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.

TypeSoftware and Tool

DomainQuantum chemistry

LicenseFree academic/commercial terms

Contributorsorcaforum.kofo.mpg.de