A close coupling study of the bending relaxation of H₂O by collision with He

We present a close coupling study of the bending relaxation H2O by collision with He, taking explicitly into account bending–rotation within rigid-bender close-coupling method. A 4D potential energy surface is developed based on large grid ab initio points calculated at coupled-cluster single double triple level theory. The bound states energies He–H2O complex are computed and found to be in excellent agreement previous theoretical calculations. dynamics results also compare very well rigid-rotor available Basecol database experimental data for both rotational transitions relaxation. demonstrated efficient increasing when excitation increases.