LEADER 01811nam 2200373z- 450 001 9910346777503321 005 20231214141233.0 010 $a1000048734 035 $a(CKB)4920000000100748 035 $a(oapen)https://directory.doabooks.org/handle/20.500.12854/62990 035 $a(EXLCZ)994920000000100748 100 $a20202102d2015 |y 0 101 0 $ager 135 $aurmn|---annan 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aZweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung 210 $cKIT Scientific Publishing$d2015 215 $a1 electronic resource (215 p. p.) 311 $a3-7315-0428-6 330 $aThis 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. 610 $aSpin-Bahn-Kopplung 610 $aMetallclusterSpin-orbit coupling 610 $aTime-dependent density functional theory 610 $aOrganic light-emitting diodes 610 $aZeitabhängige Dichtefunktionaltheorie 610 $aMetal clusters 610 $aOrganische Leuchtdioden 700 $aKühn$b Michael$4auth$0870148 906 $aBOOK 912 $a9910346777503321 996 $aZweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung$93022221 997 $aUNINA