Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory

Title:: Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory
Document type:: Zeitschriftenaufsatz
Author(s):: Kretz, Bernhard; Egger, David A.
Journal title:: Journal of Chemical Theory and Computation
Year:: 2020
Journal volume:: 17
Journal issue:: 1
Pages contribution:: 357-366
Fulltext / DOI:: doi:10.1021/acs.jctc.0c00858
Publisher:: American Chemical Society (ACS)
E-ISSN:: 1549-96181549-9626
Date of publication:: 07.12.2020
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