TY - BOOK ID - 100172888 TI - Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung PY - 2015 SN - 1000048734 3731504286 PB - KIT Scientific Publishing DB - UniCat KW - Spin-Bahn-Kopplung KW - MetallclusterSpin-orbit coupling KW - Time-dependent density functional theory KW - Organic light-emitting diodes KW - Zeitabhängige Dichtefunktionaltheorie KW - Metal clusters KW - Organische Leuchtdioden UR - https://www.unicat.be/uniCat?func=search&query=sysid:100172888 AB - 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. ER -