Multichannel quantum defect theory for ro-vibrational transitions in   ultracold molecule-molecule collisions
  Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success, and it has proven to be a computationally viable alternative to full-close coupling (CC) calculations when spin, hyperfine and external field effects are included. In this paper, we describe a hybrid approach for molecule-molecule scattering that includes the simplicity of MQDT while treating the short-range interaction explicitly using CC calculations. This hybrid approach, demonstrated for H$_2$-H$_2$ collisions in full-dimensionality, is shown to adequately reproduce cross sections for quasi-resonant rotational and vibrational transitions in the ultracold (1$\mu$K) and $\sim$ 1-10 K regime spanning seven orders of magnitude. It is further shown that an energy-independent short-range $K$-matrix evaluated in the ultracold regime (1$\mu$K) can adequately characterize cross sections in the mK-K regime when no shape resonances are present. The hybrid CC-MQDT formalism provides an alternative approach to full CC calculations at considerably less computational expense for cold and ultracold molecular scattering. 
Jisha Hazra, Brandon P. Ruzic, N. Balakrishnan, John L. Bohn
physics.atom-ph physics.chem-ph