Elastic scattering and rotational excitation of nitrogen molecules by sodium atoms

A quantal study of the rotational excitation of nitrogen molecules by sodium atoms is carried out. We present the two-dimensional potential energy surface of the NaN2 complex, with the N2 molecule treated as a rigid rotor. The interaction potential is computed using the spin unrestricted coupled-cluster method with single, double, and perturbative triple excitations (UCCSD(T)). The long-range part of the potential is constructed from the dynamic electric dipole polarizabilities of Na and N2. The total, differential, and momentum transfer cross sections for rotationally elastic and inelastic transitions are calculated using the close-coupling approach for energies between 5 cm-1 and 1500 cm-1. The collisional and momentum transfer rate coefficients are calculated for temperatures between 100 K and 300 K, corresponding to the conditions under which Na-N2 collisions occur in the mesosphere. © 2011 American Institute of Physics.

Duke Scholars

Author Peng Zhang Chemistry