Ab initiopotential curves for the valence states of the NH+ion
- 1 December 1977
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 34 (6) , 1611-1621
- https://doi.org/10.1080/00268977700102811
Abstract
Calculated CI potential curves for the low-lying 2Π, 4Σ-, 4Π, 2Σ+, 2Δ and 2Σ- states of NH+ are reported. Equilibrium distances, with known experimental r 0 values in parentheses, are; and r e(C2Σ+) = 1⫌159 (1⫌180). No evidence is found to support potential maxima in the curves for the X 2Π and A 2Σ- states. The 4Π, 2 4Σ- and 2 2Π states are predicted to be repulsive.Keywords
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