The ORCA quantum chemistry program package

In this contribution to the special software-centered issue, the ORCA program package is described. We start with a short historical perspective of how the project began and go on to discuss its current feature set. ORCA has grown into a rather comprehensive general-purpose package for theoretical r...

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Bibliographic Details

Published in:	The Journal of chemical physics Vol. 152; no. 22; p. 224108
Main Authors:	Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, Christoph
Format:	Journal Article
Language:	English
Published:	14.06.2020
ISSN:	1089-7690, 1089-7690
Online Access:	Get more information
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