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...
Saved in:
| Main Author: | |
|---|---|
| Format: | Electronic Book Chapter |
| Published: |
KIT Scientific Publishing
2015
|
| Subjects: | |
| Online Access: | DOAB: download the publication DOAB: description of the publication |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
MARC
| LEADER | 00000naaaa2200000uu 4500 | ||
|---|---|---|---|
| 001 | doab_20_500_12854_62990 | ||
| 005 | 20210212 | ||
| 003 | oapen | ||
| 006 | m o d | ||
| 007 | cr|mn|---annan | ||
| 008 | 20210212s2015 xx |||||o ||| 0|deu d | ||
| 020 | |a KSP/1000048734 | ||
| 020 | |a 9783731504283 | ||
| 040 | |a oapen |c oapen | ||
| 024 | 7 | |a 10.5445/KSP/1000048734 |c doi | |
| 041 | 0 | |a deu | |
| 042 | |a dc | ||
| 072 | 7 | |a PN |2 bicssc | |
| 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 | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 506 | 0 | |a Open Access |2 star |f Unrestricted online access | |
| 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. | ||
| 540 | |a Creative Commons |f https://creativecommons.org/licenses/by-sa/4.0/ |2 cc |4 https://creativecommons.org/licenses/by-sa/4.0/ | ||
| 546 | |a German | ||
| 650 | 7 | |a Chemistry |2 bicssc | |
| 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 | ||
| 856 | 4 | 0 | |a www.oapen.org |u https://www.ksp.kit.edu/9783731504283 |7 0 |z DOAB: download the publication |
| 856 | 4 | 0 | |a www.oapen.org |u https://directory.doabooks.org/handle/20.500.12854/62990 |7 0 |z DOAB: description of the publication |