Calculating core-level excitations and X-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator

Calculating core-level excitations and X-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 35(2014), 26 vom: 05. Okt., Seite 1900-15
1. Verfasser: Wenzel, Jan (VerfasserIn)
Weitere Verfasser: Wormit, Michael, Dreuw, Andreas
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2014
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article CVS-ADC(2) NEXAFS PTCDA acenaphthenequinone bithiophene core-excited states electronic structure theory organic electronics porphin mehr... thymine x-ray absorption spectroscopy
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