Elsevier

Chemical Physics Letters

Volume 91, Issue 3, 10 September 1982, Pages 178-184
Chemical Physics Letters

A CI investigation on the core ionized and core-Rydberg excited states of NH2

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Abstract

Large-scale Cl calculations have been performed on the X2B1 and A2 A1 neutral states of NH2 and on the core-hole states. Geometry optimization has been carried out for all the states studied, together with the computation of vibrational frequencies. Rydberg states arising from the X2 B1 core excitation have also been investigated.

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