Supported Applications


  • Description

    an electronic structure program package that is a flexible, efficient, and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules.

  • Primary Citation*

    F. Neese. 2012. The ORCA program system. WIREs Comput Mol Sci. 2: 73-78.

    • *Full citation information available through

  • Categories

    Computational Chemistry

  • Default Versions

    Linux 64 3.0.3
    OS X INTEL 3.0.3

  • Developers

    Frank Neese, Christoph Riplinger, Frank Wennmohs.