A reinterpretation of the electronic spectrum of pyrrole: a quantum dynamics study

The first band in the electronic spectrum of pyrrole is calculated from wavepacket propagations performed using the MCTDH method. To do so, two model Hamiltonians are constructed to describe seven low-lying excited electronic states of pyrrole. These Hamiltonians are based on the vibronic coupling m...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2014-01, Vol.140 (3), p.034317-034317
Hauptverfasser:	Neville, S P, Worth, G A
Format:	Artikel
Sprache:	eng
Schlagworte:	ATOMIC AND MOLECULAR PHYSICS COUPLING Electron states Electronic spectra HAMILTONIANS Mathematical models Physics PYRROLES RYDBERG STATES SPECTRA
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!