Predicted bound states and microwave spectrum of N2-He van der Waals complexes.
Numerical calculations show that four modern potential energy surfaces for N(2)-He all support 18 bound intermolecular states for the homonuclear isotopologues (14,14)N(2)-(4)He and (15,15)N(2)-(4)He, and 12 (or 13, for one surface) truly bound states for (14,15)N(2)-He. This contradicts a recent statement [Patel et al., J. Chem. Phys. 119, 909 (2003)] that one of these surfaces supports no bound states, and it yields predictions for 27 allowed pure rotational transitions among the truly bound states of the homonuclear isotopologues of this complex.
Li
Hui
H
Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada. huili@uwaterloo.ca
Le Roy
Robert J
RJ
McCourt
Frederick R W
FR