Ab initio interaction potentials for X and B excited states of He–I2 for studying dynamics

1 pag. -- XXVI International Conference on Photonic, Electronic and Atomic CollisionsAb initio CCSD(T) and MRCI approaches were employed to construct potential energy surfaces of the ground and the B electronic excited states of He–I2 complex, while full quantum mechanical methods were applied to study its spectroscopy and dynamics. A description of the approach adopted, together with the results obtained and their comparison with recent experimental data, as well as further improvements are presented.Peer reviewe