The Journal of Chemical Physics· 2020Q1

The ORCA quantum chemistry program package

Frank Neese, Frank Wennmohs, Ute Becker, Christoph Riplinger

5,072citations
Q1SCImago
2020year

Short summary

The ORCA program package is a comprehensive, general-purpose software for theoretical research across chemistry and related fields, featuring a wide array of computational methods and unique implementations.

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Field: Spectroscopy

SpectroscopyChemistry