Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung
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...
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Year of Publication: | 2015 |
Language: | German |
Physical Description: | 1 electronic resource (215 p. p.) |
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100 | 1 | |a Kühn, Michael |4 auth | |
245 | 1 | 0 | |a Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
260 | |b KIT Scientific Publishing |c 2015 | ||
300 | |a 1 electronic resource (215 p. p.) | ||
336 | |a text |b txt |2 rdacontent | ||
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520 | |a 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. | ||
546 | |a German | ||
653 | |a Spin-Bahn-Kopplung | ||
653 | |a MetallclusterSpin-orbit coupling | ||
653 | |a Time-dependent density functional theory | ||
653 | |a Organic light-emitting diodes | ||
653 | |a Zeitabhängige Dichtefunktionaltheorie | ||
653 | |a Metal clusters | ||
653 | |a Organische Leuchtdioden | ||
776 | |z 3-7315-0428-6 | ||
906 | |a BOOK | ||
ADM | |b 2023-12-15 06:09:02 Europe/Vienna |f system |c marc21 |a 2019-11-10 04:18:40 Europe/Vienna |g false | ||
AVE | |i DOAB Directory of Open Access Books |P DOAB Directory of Open Access Books |x https://eu02.alma.exlibrisgroup.com/view/uresolver/43ACC_OEAW/openurl?u.ignore_date_coverage=true&portfolio_pid=5338789870004498&Force_direct=true |Z 5338789870004498 |b Available |8 5338789870004498 |