Details

Autor(en) / Beteiligte

• Kühn, Michael

Titel

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

Ort / Verlag

[Verlagsort nicht ermittelbar] : KIT Scientific Publishing

Erscheinungsjahr

2015

Beschreibungen/Notizen

• Open Access
• 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
• GERMAN