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Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
- Format:
- Book
- Author/Creator:
- Kühn, Michael
- Language:
- German
- Physical Description:
- 1 online resource (215 p. p.)
- Place of Publication:
- KIT Scientific Publishing 2015
- Language Note:
- German
- Summary:
- 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.
- ISBN:
- 1000048734
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