A Multi-Scale Approach to Simulate the Nonlinear Optical Response of Molecular Nanomaterials.

Zerulla, Benedikt; Beutel, Dominik; Holzer, Christof; Fernandez-Corbaton, Ivan; Rockstuhl, Carsten; Krstic, Marjan

Zerulla, Benedikt; Beutel, Dominik; Holzer, Christof; Fernandez-Corbaton, Ivan; Rockstuhl, Carsten; Krstic, Marjan.

Afiliación

Zerulla B; Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.
Beutel D; Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.
Holzer C; Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.
Fernandez-Corbaton I; Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.
Rockstuhl C; Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.
Krstic M; Institute of Theoretical Solid State Physics, Karlsruhe Institute of Technology (KIT), 76131, Karlsruhe, Germany.

Adv Mater ; 36(8): e2311405, 2024 Feb.

Article en En | MEDLINE | ID: mdl-38009234

Palabras clave

multi-scale workflow; nonlinear optics; second-harmonic generation; time-dependent density-functional theory; transition matrix formalism

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Adv Mater Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Alemania

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