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- W1995169634 abstract "Ab initio R-matrix techniques are combined with multi-channel quantum defect theory to determine the properties of arbitrarily highly excited electronic states of nitric oxide. Results are obtained for l = 0-4 channels associated with the four lowest NO+ target channels, namely 1Σ+, 3Σ+, 3Π and 3Δ. Energy and bond length variations of the quantum defect functions for all target states are reported. Certain small surface amplitude R-matrix poles also serve to determine the energies of valence states. Diabatic potential curves for Rydberg states converging to the 1Σ+ and 3Σ+ target states and for the valence states are presented. Systematic jumps in the pσ quantum defects for all target states as the bond length increases beyond R = 2.5 au are attributed to Rydbergization of the antibonding 2pσ* molecular orbital." @default.
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- W1995169634 date "2002-02-27" @default.
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- W1995169634 title "Ab initio R-matrix/multichannel quantum defect theory study of nitric oxide" @default.
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