Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers
Figure 12
A comparison of the three Cl-H2 curves that correlate with H2 molecules when the H2 molecule is either frozen in its state (dashed lines) or allowed to mix some character into its rotational wave function (solid lines). (a) shows, as functions of the Cl-H2 distance , curves for the two states that correlate with the lower spin-orbit state of the Cl atom; (b) shows curves for the state that correlates with the upper spin-orbit state of the Cl atom. The horizontal dashed lines show the respective asymptotic dimer energies as . The two curves shown in (b) are nearly indistinguishable from one another.
