Quintet electronic states of N2.
We use large scale ab initio calculations to investigate the valence and valence-Rydberg quintet states of N(2), their transition moments and their spin-orbit couplings to the close lying triplet electronic states. In addition to the A' (5)Sigma(g)(+) and the C" (5)Pi(ui) states already known, we identify two weakly bound states (2 (5)Sigma(g)(+) and 2 (5)Pi(u)) at approximately 95,300 and 106,200 cm(-1) above N(2)(X (1)Sigma(g)(+), v=0). The other quintets are viewed to be repulsive in nature. Our potentials and couplings are used later to derive a set of accurate spectroscopic data for these quintets, their spin-orbit constants, and to elucidate the quintet-triplet dynamics and the role of these newly identified quintets for the production of cold atomic nitrogen.
Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, Marne-la-Vallée 77454, France. hochlaf@univ-mlv.fr
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