Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung

• Main Author: Kühn, Michael (auth)
• Format: Electronic Book Chapter
• Published: KIT Scientific Publishing 2015
• Subjects: Chemistry; Spin-Bahn-Kopplung; MetallclusterSpin-orbit coupling; Time-dependent density functional theory; Organic light-emitting diodes; Zeitabhängige Dichtefunktionaltheorie; Metal clusters; Organische Leuchtdioden
• Online Access: DOAB: download the publication; DOAB: description of the publication

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...