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Software update: the ORCA program system, version 4.0

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Neese,  Frank
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Citation

Neese, F. (2018). Software update: the ORCA program system, version 4.0. Wiley Interdisciplinary Reviews: Computational Molecular Science, 8(1): e1327. doi:10.1002/wcms.1327.


Cite as: http://hdl.handle.net/21.11116/0000-0007-6F5D-6
Abstract
This short update provides an overview of the capabilities that have been added to the ORCA electronic structure package (version 4.0) since publication of the first article in 2012.