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Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

The development of reliable theoretical methods and the provision of efficient computer programs for the investigation of optical spectra and photochemistry of large molecules in general is one of the most important tasks of contemporary theoretical chemistry. Here, we present an overview of the cur...

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Hauptverfasser: Wormit, Michael (VerfasserIn) , Rehn, Dirk R. (VerfasserIn) , Harbach, Philipp H. P. (VerfasserIn) , Wenzel, Jan (VerfasserIn) , Krauter, Caroline M. (VerfasserIn) , Dreuw, Andreas (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 04 Mar 2014
In: Molecular physics
Year: 2014, Jahrgang: 112, Heft: 5-6, Pages: 774-784
ISSN:1362-3028
DOI:10.1080/00268976.2013.859313
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1080/00268976.2013.859313
Volltext
Verfasserangaben:Michael Wormit, Dirk R. Rehn, Philipp H.P. Harbach, Jan Wenzel, Caroline M. Krauter, Evgeny Epifanovsky, Andreas Dreuw
Beschreibung
Zusammenfassung:The development of reliable theoretical methods and the provision of efficient computer programs for the investigation of optical spectra and photochemistry of large molecules in general is one of the most important tasks of contemporary theoretical chemistry. Here, we present an overview of the current features of our implementation of the algebraic diagrammatic construction scheme of the polarisation propagator, which is a versatile and robust approach for the theoretical investigation of excited states and their properties.
Beschreibung:Published online: 28 Oct 2013
Gesehen am 15.12.2017
Beschreibung:Online Resource
ISSN:1362-3028
DOI:10.1080/00268976.2013.859313

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