Total angular momentum representation for atom-molecule collisions in electric fields
Abstract
It is shown that the atom-molecule collision problem in the presence of an external electric field can be solved using the total angular momentum representation in the body-fixed coordinated frame, leading to a computationally efficient method for ab initio modeling of low-temperature scattering phenomena. Our calculations demonstrate rapid convergence of the cross sections for vibrational and Stark relaxation in He-CaD collisions with the number of total angular momentum states in the basis set, leading to a 5-100 fold increase in computational efficiency over the previously used methods based on the fully uncoupled space-fixed representation. These results open up the possibility of carrying out numerically converged quantum scattering calculations on a wide array of atom-molecule collisions and chemical reactions in the presence of electric fields.
Cite
@article{arxiv.1202.4531,
title = {Total angular momentum representation for atom-molecule collisions in electric fields},
author = {T. V. Tscherbul},
journal= {arXiv preprint arXiv:1202.4531},
year = {2012}
}
Comments
19 pages, 3 figures, 1 table