THEORETICAL INVESTIGATION OF HEH+

Results are reported for the ground state (X1Σ+) of the HeH+ ion. They include an improved Born-Oppenheimer potential curve, adiabatic corrections, and rovibronic energies for the three lowest vibrational states. The dissociation energy in the adiabatic approximation is found to be 14 873.6 cm-1, and adiabatic effects decrease the two lowest vibrational spacings ΔG( 1 2) and ΔG( 3 2) by 0.9 and 0.8 cm-1, respectively. The adiabatic rovibronic energies reported are thought to be accurate to within 1 cm-1. © 1979.