Adiabatic and diabatic potential-energy surfaces of the CN(X 2Σ+,A 2Π)Ne complex and nonadiabatic predissociation dynamics

Adiabatic and diabatic potential-energy surfaces (PES’s) for the interaction of Ne(1S0) with the CN molecule in its ground (X 2Σ+) and first excited (A 2Π) electronic states were determined using multireference configuration-interaction calculations. The three electronically adiabatic potential-ener...

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Veröffentlicht in:	The Journal of chemical physics 1997-11, Vol.107 (18), p.7148-7162
Hauptverfasser:	Yang, Moonbong, Alexander, Millard H.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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