ORCA (Quantum Chemistry Program)
 | |
| Developer(s) | Prof. Frank Neese |
|---|---|
| Stable release | ORCA 3.0.3 |
| Operating system | Linux, Microsoft Windows, Mac OS |
| License | Academic |
| Website |
orcaforum |
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
- Avogadro
- Chemcraft
- Molden
- Ascalaph Designer
- Gabedit
See also
References
- ↑ 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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