Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung

• Autore: Kühn Michael
• Pubblicazione: KIT Scientific Publishing, 2015
• Descrizione fisica: 1 electronic resource (215 p. p.)
• Soggetto non controllato: Spin-Bahn-Kopplung; MetallclusterSpin-orbit coupling; Time-dependent density functional theory; Organic light-emitting diodes; Zeitabhängige Dichtefunktionaltheorie; Metal clusters; Organische Leuchtdioden
• Sommario/riassunto: This book reports on the derivation, implementation and application of two-component methods in the framework of time-dependent density functional theory. These methods allow the calculation of electronic transitions as well as the calculation of the correlation contribution to the electronic ground-state energy (RPA) and to the orbital energies (GW) including spin-orbit coupling. The focus of the applications is put on organic light-emitting diodes and clusters of heavy metals.
• Titolo autorizzato: Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
• ISBN: 1000048734
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Tedesco
• Record Nr.: 9910346777503321
• Lo trovi qui: Univ. Federico II