Jahn-Teller and related effects in the silver trimer. I. The ab initio calculation of spectroscopically observable parameters for the X ̃ E ′ 2 and A ̃ E ″ 2 electronic states

Extensive ab initio calculations were performed for the X ̃ E ′ 2 and A ̃ E ″ 2 states of Ag 3 , using a newly constructed basis set for Ag. An important goal of these calculations is to guide the analysis of the experimentally observed A ̃ E ″ 2 - X ̃ E ′ 2 electronic spectrum. Vibrational frequenc...

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Veröffentlicht in:	The Journal of chemical physics 2007-03, Vol.126 (12), p.124308-124308-16
Hauptverfasser:	Sioutis, Ilias, Stakhursky, Vadim L., Pitzer, Russell M., Miller, Terry A.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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