Abstract
Ab initio R-matrix techniques are combined withmulti-channel quantum defect theory to determine theproperties of arbitrarily highly excited electronic states ofnitric oxide. Results are obtained for l = 0-4 channelsassociated with the four lowest NO+ target channels, namely1Σ+, 3Σ+, 3Π and3Δ. Energy and bond length variations of the quantumdefect functions for all target states are reported. Certainsmall surface amplitude R-matrix poles also serve to determinethe energies of valence states. Diabatic potential curves forRydberg states converging to the 1Σ+ and3Σ+ target states and for the valence states arepresented. Systematic jumps in the pσ quantum defectsfor all target states as the bond length increases beyondR = 2.5 au are attributed to Rydbergization of the antibonding2pσ* molecular orbital.
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More From: Journal of Physics B: Atomic, Molecular and Optical Physics
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