A b   i n i t i o studies of low-lying 3Σ−, 3Π, and 5Σ− states of NH. I. Potential curves and dipole moment functions

Configuration interaction wave functions, potential energy curves, and dipole moment functions have been calculated for the four lowest 3Σ− and the three lowest 3Π states and 5Σ− states of NH. The electronic wave functions were constructed to give a balanced description of valence–Rydberg interactio...

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Veröffentlicht in:	The Journal of chemical physics 1987-10, Vol.87 (7), p.3986-3994
Hauptverfasser:	Goldfield, Evelyn M., Kirby, Kate P.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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