Ab initio studies of AgHe exciplex

Ab initio potentials for an AgHe complex are calculated. The MP2 method is used for the ground state and the CIS+MP2 method for the excited states. A relativistic effective core potential is employed to replace 28 core electrons of Ag. Spin-orbit effects are added by a semiempirical procedure. The ground state potential is 11.3 cm−1 deep and the bond length is 4.42 Å. The ground state supports one vibrational level. The (3,0) and (4,0) A2Π32−X2Σ+ bands are expected to be the strongest bound-bound transtions.