Quantum Defect Theory for Cold Chemistry with Product Quantum State Resolution
Abstract
We present a formalism for cold and ultracold atom-diatom chemical reactions that combines a quantum close-coupling method at short-range with quantum defect theory at long-range. The method yields full state-to-state rovibrationally resolved cross sections as in standard close-coupling (CC) calculations but at a considerably less computational expense. This hybrid approach exploits the simplicity of MQDT while treating the short-range interaction explicitly using quantum CC calculations. The method, demonstrated for D+H HD+H collisions with rovibrational quantum state resolution of the HD product, is shown to be accurate for a wide range of collision energies and initial conditions. The hybrid CC-MQDT formalism may provide an alternative approach to full CC calculations for cold and ultracold reactions.
Cite
@article{arxiv.1410.5873,
title = {Quantum Defect Theory for Cold Chemistry with Product Quantum State Resolution},
author = {Jisha Hazra and Brandon P. Ruzic and John L. Bohn and N. Balakrishnan},
journal= {arXiv preprint arXiv:1410.5873},
year = {2015}
}