Electronic-Rotational Coupling in Cl–para-H₂ Van der Waals Dimers

Figure 2

(a) Adiabatic 𝐴^′ potential energy surfaces for planar Cl-H₂ geometries shown as functions of the H₂ polar angle 𝛼 for 𝑅=7𝑎₀ and 𝑟=1.449𝑎₀. (b) Contributions made by the Cl atom’s 𝑃_𝑥 (dashed line) and 𝑃_𝑧 (solid line) Slater determinants to the lowest-energy 1𝐴^′ electronic state shown as functions of the H₂ polar angle 𝛼 for 𝑅=7𝑎₀ and 𝑟=1.449𝑎₀.

(a)

(b)