Journal of Chemical Physics, Vol.121, No.23, 11798-11801, 2004
First principles determination of the bound levels of HeLi-
An analytical potential energy curve is developed from high quality ab initio calculations for the He+Li- interaction. The HeLi- electrostatic complex is found to have an R-e of 18.5 bohrs and a D-e of 0.974 cm(-1). Numerical solution of the rovibrational Schrodinger equation with this potential indicates two bound levels, (v,J)=(0,0) and (0,1), for all naturally occurring isotopologs (i.e., (HeLi-)-He-4-Li-7, (HeLi-)-He-4-Li-6, (HeLi-)-He-3-Li-7, and (HeLi-)-He-3-Li-6). For the common isotopolog, (HeLi-)-He-4-Li-7, a D-0 of 0.207 cm-1 and an R-0 of 26.5 bohrs is determined. (C) 2004 American Institute of Physics.