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

Titel:: Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory
Dokumenttyp:: Zeitschriftenaufsatz
Autor(en):: Kretz, Bernhard; Egger, David A.
Zeitschriftentitel:: Journal of Chemical Theory and Computation
Jahr:: 2020
Band / Volume:: 17
Heft / Issue:: 1
Seitenangaben Beitrag:: 357-366
Volltext / DOI:: doi:10.1021/acs.jctc.0c00858
Verlag / Institution:: American Chemical Society (ACS)
E-ISSN:: 1549-96181549-9626
Publikationsdatum:: 07.12.2020
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