Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers
Figure 1
(a) Adiabatic Cl-H2 potential energy surfaces, as functions of the Cl-H2 distance , for (a) collinear and (b) T-shaped geometries. Solid lines indicate the potential energy for the Cl electronic configuration in which the hole is aligned with the space-fixed -axis; dashed lines indicate the potential energy for the Cl electronic configuration in which the hole is aligned with the space-fixed -axis. In both panels, is held fixed at .
