Ultracold Atom-Atom Scattering with R-Matrix Methods

Tom Rivlin

Published Dec 28, 2019• 0 citations

Abstract

Novel experimental methods have allowed for the routine production of ultracold (sub-Kelvin) atoms and small molecules. This has facilitated the study of chemical reactions involving only a small number of partial waves, allowing for unprecedented control over ultracold chemical reactions. This thesis describes work towards a new set of theories, based on Wigner's R-matrix methodology, which are adapted for so-called heavy particle scattering, and in particular atom-atom scattering. From these new theories a new set of methods are constructed to accurately simulate scattering observables such as scattering lengths, cross-sections, and resonances for atom-atom scattering events at ultracold temperatures by producing high resolution plots of these observables. The methods utilise software built for high-accuracy diatomic spectra, such as Duo, to provide molecular eigenenergies and wavefunctions of the bound system at short internuclear distances (in a region known as the inner region), only requiring as input a matrix of diatomic internuclear potential energy curves and couplings. These methods then act as 'harnesses', allowing this information to be used to perform an R-matrix propagation at long internuclear distances (in a region known as the outer region) using R-matrix propagation codes such as PFARM. The result of this propagation is then used to produce the aforementioned scattering observables. In this work these new R-matrix methods are applied to the case of a particle scattering off a Morse potential, to elastic argon-argon collisions, and to the intramultiplet mixing of oxygen when impacted by helium. This work also serves as a basis for the future simulation of more complex scattering events, such as atom-diatom collisions and higher polyatomic collisions.

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