Publikationsdatum:
2024-04-05
Beschreibung:
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.
Schlagwort(e):
QD1-999
;
Spin-Bahn-Kopplung
;
MetallclusterSpin-orbit coupling
;
Time-dependent density functional theory
;
Organic light-emitting diodes
;
Zeitabhängige Dichtefunktionaltheorie
;
Metal clusters
;
Organische Leuchtdioden
;
thema EDItEUR::P Mathematics and Science::PN Chemistry
Sprache:
Deutsch
Format:
image/jpeg
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