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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(CKB)4920000000100748 (oapen)https://directory.doabooks.org/handle/20.500.12854/62990 (EXLCZ)994920000000100748 |
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Kühn, Michael auth Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung KIT Scientific Publishing 2015 1 electronic resource (215 p. p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier 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. German Spin-Bahn-Kopplung MetallclusterSpin-orbit coupling Time-dependent density functional theory Organic light-emitting diodes Zeitabhängige Dichtefunktionaltheorie Metal clusters Organische Leuchtdioden 3-7315-0428-6 |
| language |
German |
| format |
eBook |
| author |
Kühn, Michael |
| spellingShingle |
Kühn, Michael Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| author_facet |
Kühn, Michael |
| author_variant |
m k mk |
| author_sort |
Kühn, Michael |
| title |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_full |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_fullStr |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_full_unstemmed |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_auth |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_new |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| title_sort |
zweikomponentige methoden im rahmen der zeitabhängigen dichtefunktionaltheorie - theorie, implementierung und anwendung |
| publisher |
KIT Scientific Publishing |
| publishDate |
2015 |
| physical |
1 electronic resource (215 p. p.) |
| isbn |
1000048734 3-7315-0428-6 |
| illustrated |
Not Illustrated |
| work_keys_str_mv |
AT kuhnmichael zweikomponentigemethodenimrahmenderzeitabhangigendichtefunktionaltheorietheorieimplementierungundanwendung |
| status_str |
n |
| ids_txt_mv |
(CKB)4920000000100748 (oapen)https://directory.doabooks.org/handle/20.500.12854/62990 (EXLCZ)994920000000100748 |
| carrierType_str_mv |
cr |
| is_hierarchy_title |
Zweikomponentige Methoden im Rahmen der zeitabhängigen Dichtefunktionaltheorie - Theorie, Implementierung und Anwendung |
| _version_ |
1796648759622369281 |
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