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      Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory

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          Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

          Thom Dunning (1989)
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            A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

            Peter R. Taylor, Per Si≐gbahn, Björn O. Roos (1980)
            Article 0 comments Cited 806 times – based on 0 reviews     Review now
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              Second-order perturbation theory with a CASSCF reference function

              Bjoern Roos, Kerstin Andersson, Per Malmqvist … (1990)
              Article 0 comments Cited 627 times – based on 0 reviews     Review now
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                Author and article information

                Contributors
                Paul B. Calio: (View ORCID Profile)
                Donald G. Truhlar: (View ORCID Profile)
                Laura Gagliardi: (View ORCID Profile)
                Journal
                Title: Journal of Chemical Theory and Computation
                Abbreviated Title: J. Chem. Theory Comput.
                Publisher: American Chemical Society (ACS)
                ISSN (Print): 1549-9618
                ISSN (Electronic): 1549-9626
                Publication date Created: February 08 2022
                Publication date (Electronic): January 14 2022
                Publication date (Print): February 08 2022
                Volume: 18
                Issue: 2
                Pages: 614-622
                Affiliations
                [1 ]Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, University of Chicago, Chicago, Illinois 60637-5418, United States
                [2 ]Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 United States
                [3 ]Department of Chemistry, Center for Theoretical Chemistry, Pritzker School of Molecular Engineering, Chicago James Franck Institute, University of Chicago, Chicago, Illinois 60637-5418, United States
                [4 ]Argonne National Laboratory, Lemont, Illinois 60439 United States
                Article
                DOI: 10.1021/acs.jctc.1c01048
                PubMed ID: 35030306
                SO-VID: ecad84f4-d91d-4c5b-ae0c-60a99c416de1
                Copyright © © 2022
                License:

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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