Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
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...
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| Format: | Électronique Chapitre de livre |
| Publié: |
KIT Scientific Publishing
2015
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| Sujets: | |
| Accès en ligne: | DOAB: download the publication DOAB: description of the publication |
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| Résumé: | 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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| Description matérielle: | 1 electronic resource (215 p. p.) |
| ISBN: | KSP/1000048734 9783731504283 |
| Accès: | Open Access |