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Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems

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Corresponding authors
a
Department of Chemistry, Chemical Theory Center, Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, USA
E-mail: gagliard@umn.edu, cramer@umn.edu, truhlar@umn.edu
Chem. Sci., 2017, Advance Article

DOI: 10.1039/C6SC05036K
Received 14 Nov 2016, Accepted 16 Jan 2017
First published online 19 Jan 2017
This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
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