All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation

The ground state and the first excited electronic states of the octa-atomic butatriene cation (C4H4+) exhibit a multidimensional conical intersection. This intersection is energetically low lying and is located in the vicinity of the Franck–Condon region of the neutral molecule’s ground state. The c...

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Veröffentlicht in:	The Journal of chemical physics 2001-08, Vol.115 (5), p.2088-2100
Hauptverfasser:	Cattarius, Chr, Worth, G. A., Meyer, H.-D., Cederbaum, L. S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Physics
Online-Zugang:	Volltext
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