Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size.

Hele, Timothy J H; Monserrat, Bartomeu; Alvertis, Antonios M

Hele, Timothy J H; Monserrat, Bartomeu; Alvertis, Antonios M.

Afiliación

Hele TJH; Department of Chemistry, University College London, 20, Gordon Street, London WC1H 0AJ, United Kingdom.
Monserrat B; Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom.
Alvertis AM; Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom.

J Chem Phys ; 154(24): 244109, 2021 Jun 28.

Article en En | MEDLINE | ID: mdl-34241372

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2021 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos

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