Elastic scattering of two ground-state N atoms

Abstract

An interaction potential for an N 2 (X 1 + g ) molecule is constructed by using the highly accurate valence internally contracted multireference configuration interaction method and the largest basis set, aug-cc-pV6Z, in the valence range.The potential is used to investigate the elastic scattering of two N atoms at energies from 1.010 -11 to 1.0 10 -4 a.u.The derived total elastic cross sections are very large and almost constant at ultralow temperatures, and the shape of total elastic cross section curve is mainly dominated by the s-partial wave at very low collision energies.Three shape resonances are found in the total elastic cross sections.Concretely, the first one is very sharp and strong.It results from the g-partial-wave contribution and the resonant energy is 3.645 10 -6 a.u.The second one is contributed by the h-partial wave and the resonant energy is 1.752 10 -5 a.u.This resonance is broadened by those from the d-and f -partial waves.The third one comes from the l = 6 partial wave contribution and the resonant energy is 3.522 10 -5 a.u.This resonance is broadened by those from the g-and h-partial waves.The N 2 (X 1 + g ) molecular parameters, which are determined at the current theoretical level, achieve very high accuracy due to the employment of the largest correlation-consistent basis set in the valence range.