Interatomic potentials for ArLi+ obtained by SCF, MP2 and density functional theory

The interatomic potential for the ground state (X1ϵ) of ArLi+ was determined by SCF, MP2 and density functional theory methods, using large Gaussian-type basis functions. It was found that the MP2 potential was in excellent agreement with an accurate extended group function model; the density functional theory results were less satisfactory but better than the corresponding SCF results.