1.

Record Nr.

UNINA9910346777503321

Autore

Kühn Michael

Titolo

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

Pubbl/distr/stampa

KIT Scientific Publishing, 2015

ISBN

1000048734

Descrizione fisica

1 electronic resource (215 p. p.)

Lingua di pubblicazione

Tedesco

Formato

Materiale a stampa

Livello bibliografico

Monografia

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.