ORCA (Quantum Chemistry Program)

ORCA
Developer(s) Prof. Frank Neese
Stable release ORCA 3.0.3
Operating system Linux, Microsoft Windows, Mac OS
License Academic
Website orcaforum.cec.mpg.de

ORCA (Quantum Chemistry Program)[1] is an ab initio quantum chemistry program package that contains modern electronic structure methods including density functional theory, many-body perturbation, coupled cluster, multireference methods, and semi-empirical quantum chemistry methods. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA is developed in the research group of Frank Neese and is free for academic use.

Graphic interfaces

See also

References

  1. Neese, Frank (2012). "The ORCA program system". Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (1): 73–78. doi:10.1002/wcms.81.

External links

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