Potential Energy Curves for Excited States of Ar in He and Transition Rate Constants in ArHe Calculated By Ab Initio Methods

The potential energy curves for the excited Ar* atoms interaction with He in a ground state were built. The transition energies of argon atom levels were calculated by MRCI method with aug-cc-pV5Z basis set in MOLPRO 2010 with an approaching He atom. The procedure of “diabatization” was carried out to obtain the transition rate constants of the s- and p- levels for Ar* in He at an atmospheric pressure.