VALENCE AND RYDBERG STATES OF NH. AN AB-INITIO MRD-CI STUDY.
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Abstract
We report extensive ab-initio MRD-CI electronic structure calculations of the imidogen radical NH. Potential energy curves of all valence and many Rydberg states were calculated. Thirty nine states were computed including fifteen singlets, fifteen triplets and nine quintets. A basis set of DZ + POL augmented with
Description
- S.G. Clement, M.N.R. Ashfold, C.M. Western, J. Chem. Soc. Faraday Tran., 88, 3121 (1992).
Author Institution: Universidad Nacional Autónoma de México, Laboratorio Cuernavaca, AP-139 B. 62191 Morelos, MEXICO.