Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
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| Autore: |
Kühn Michael
|
| Titolo: |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
|
| Pubblicazione: | KIT Scientific Publishing, 2015 |
| Descrizione fisica: | 1 online resource (215 p. p.) |
| Soggetto topico: | Chemistry |
| Soggetto non controllato: | Metal clusters |
| MetallclusterSpin-orbit coupling | |
| Organic light-emitting diodes | |
| Organische Leuchtdioden | |
| Spin-Bahn-Kopplung | |
| Time-dependent density functional theory | |
| Zeitabhängige Dichtefunktionaltheorie | |
| 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 |
| Opac: | Controlla la disponibilità qui |