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      Fitting coupled potential energy surfaces for large systems: Method and construction of a 3-state representation for phenol photodissociation in the full 33 internal degrees of freedom using multireference configuration interaction determined data

      Author(s): 1 , 1
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      Journal: The Journal of Chemical Physics
      Publisher: AIP Publishing

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            Conditions for the definition of a strictly diabatic electronic basis for molecular systems

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                Author and article information

                Journal
                Title: The Journal of Chemical Physics
                Abbreviated Title: The Journal of Chemical Physics
                Publisher: AIP Publishing
                ISSN (Print): 0021-9606
                ISSN (Electronic): 1089-7690
                Publication date Created: January 14 2014
                Publication date (Print): January 14 2014
                Volume: 140
                Issue: 2
                Page: 024112
                Affiliations
                [1 ]Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA
                Article
                DOI: 10.1063/1.4857335
                PubMed ID: 24437870
                SO-VID: 86d27241-a51e-4e41-ab9f-4051e05de48b
                Copyright © © 2014
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