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SBGridTV

Supported Applications

ORCA

  • 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.

  • Usage Notes

    ORCA is freely available to non-profit labs, but each lab must register on the ORCA website before we can install the software. To include this software in your installation, academic labs should register on the ORCA website (https://orcaforum.cec.mpg.de/ucp.php?mode=register), then send a copy of your registration confirmation to us at licensing@sbgrid.org. Nonprofit users should email orca.license@cec.mpg.de or info@faccts.de & submit confirmation to licensing@sbgrid.org, then send a copy of your registration confirmation to us at licensing@sbgrid.org.

  • Primary Citation*

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

    F. Neese. 2017. Software update: the ORCA program system, version 4.0. WIREs Computational Molecular Science. 8(1): e1327.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  4.0.0
    OS X INTEL:  3.0.3

  • Other Available Versions

      Linux 64:

      3.0.3
  • Developers

    Frank Neese, Christoph Riplinger, Frank Wennmohs.

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