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Wiley Interdisciplinary Reviews Computational Molecular Science· 2017Q1

Software update: the ORCA program system, version 4.0

Frank Neese

Short summary

The ORCA electronic structure package has been updated to version 4.0, introducing new capabilities since its initial publication in 2012.

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Field: Atomic and Molecular Physics, and Optics

Atomic and Molecular Physics, and OpticsPhysics and Astronomy