Photodissociation of ozone in the Hartley band: Potential energy surfaces, nonadiabatic couplings, and singlet/triplet branching ratio

The lowest five A 1 ′ states of ozone, involved in the photodissociation with UV light, are analyzed on the basis of multireference configuration interaction electronic structure calculations with emphasis on the various avoided crossings in different regions of coordinate space. Global diabatic pot...

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Veröffentlicht in:	The Journal of chemical physics 2010-01, Vol.132 (4), p.044305-044305-16
Hauptverfasser:	Schinke, R., McBane, G. C.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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