01890nam 2200409z- 450 9910346777503321202102121000048734(CKB)4920000000100748(oapen)https://directory.doabooks.org/handle/20.500.12854/62990(oapen)doab62990(EXLCZ)99492000000010074820202102d2015 |y 0gerurmn|---annantxtrdacontentcrdamediacrrdacarrierZweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und AnwendungKIT Scientific Publishing20151 online resource (215 p. p.)3-7315-0428-6 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.ChemistrybicsscMetal clustersMetallclusterSpin-orbit couplingOrganic light-emitting diodesOrganische LeuchtdiodenSpin-Bahn-KopplungTime-dependent density functional theoryZeitabhängige DichtefunktionaltheorieChemistryKühn Michaelauth870148BOOK9910346777503321Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung3022221UNINA