Secondary Kinetic Peak in the Kohn-Sham Potential and Its Connection to the Response Step.

Giarrusso, Sara; Neugarten, Roeland; Baerends, Evert Jan; Giesbertz, Klaas J H

Giarrusso, Sara; Neugarten, Roeland; Baerends, Evert Jan; Giesbertz, Klaas J H.

Afiliación

Giarrusso S; Department of Chemistry and Biochemistry, University of California Merced, 5200 North Lake Road, Merced, California 95343, United States.
Neugarten R; Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands.
Baerends EJ; Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands.
Giesbertz KJH; Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The Netherlands.

J Chem Theory Comput ; 18(8): 4762-4773, 2022 Aug 09.

Article en En | MEDLINE | ID: mdl-35895974

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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