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Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
Michael Kühn
2015
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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.
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Keywords
- Metal clusters
- MetallclusterSpin-orbit coupling
- Organic light-emitting diodes
- Organische Leuchtdioden
- Spin-Bahn-Kopplung
- Time-dependent density functional theory
- Zeitabhängige Dichtefunktionaltheorie
Links
DOI: 10.5445/KSP/1000048734Editions