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Optimized Multichannel Quantum Defect Theory for cold molecular collisions | | James F. E. Croft
; Jeremy M. Hutson
; Paul S. Julienne
; | | Date: |
26 Jun 2012 | | Abstract: | Multichannel quantum defect theory (MQDT) can provide an efficient
alternative to full coupled-channel calculations for low-energy molecular
collisions. However, the efficiency relies on interpolation of the Y matrix
that encapsulates the short-range dynamics, and there are poles in Y that may
prevent interpolation over the range of energies of interest for cold molecular
collisions. We show how the phases of the MQDT reference functions may be
chosen so as to remove such poles from the vicinity of a reference energy and
dramatically increase the range of interpolation. For the test case of Mg+NH,
the resulting optimized Y matrix may be interpolated smoothly over an energy
range of several Kelvin and a magnetic field range of over 1000 G. Calculations
at additional energies and fields can then be performed at a computational cost
that is proportional to the number of channels N and not to N^3. | | Source: | arXiv, 1206.6072 | | Services: | Forum | Review | PDF | Favorites | |
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