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A theoretical study for the valence-Rydberg interaction in diatomic molecules. Application to the No beta band system

Authors :
Bustos E.
Granucci G.
Persico M.
Velasco A.M.
Martin I.
Lavin C.
Source :
Journal of Physical Chemistry A. Dec 23, 2004, Vol. 108 Issue 51, p11279, 6 p.
Publication Year :
2004

Abstract

The existing uncertainties concerning the beta band of NO as well as to test the adequacy of the molecular quantum defect orbital (MQDO) procedure to describe the vibronic levels of a valence state that is subject to the interaction with Rydberg state (3ppi(C(sub 2)pi)--B(super 2)pi) or of the Rydberg--valence state of NO is studied. The high ratio between the quality of results and the computational effort of this procedure is undoubtedly linked to its analyticity.

Details

Language :
English
ISSN :
10895639
Volume :
108
Issue :
51
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.127767321