ORCA Ab initio is a specialized software for computational and quantum chemistry that includes methods and methods of electronic structures as well as DFT density theory. The ORCA program is a modern electronic structure software package developed by F. Neese.
ORCA is a flexible, efficient, and easy-to-use general tool in quantum chemistry with an emphasis on the loose spectral properties of molecules. This feature has a wide range of standard quantum methods ranging from semiempirical to DFT to ab initio to single and multiple.
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