Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
- Kühn, Michael
- KIT Scientific Publishing 2015
- Physical Description:
- 1 electronic resource (215 p. p.)
- Language Note:
- Restrictions on Access:
- Open Access Unrestricted online 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.
- KSP/1000048734 and 9783731504283
- DOAB Library.
- Creative Commons https://creativecommons.org/licenses/by-sa/4.0/
View MARC record | catkey: 33188234