Ab initio electron scattering cross-sections and transport in liquid xenon. (2nd August 2016)

• Record Type: Journal Article
• Authors: Boyle, G J; McEachran, R P; Cocks, D G; Brunger, M J; Buckman, S J; Dujko, S; White, R D
• Is Part Of: Journal of physics. Volume 49:Number 35(2016)
• Publication Date: 2016-08-02
• Subjects: electron scattering -- Boltzmann's equation -- liquid xenon -- pair-correlation -- screening; Physics -- Periodicals; 530
• DOI: 10.1088/0022-3727/49/35/355201
• Languages: English
• ISSNs: 0022-3727

Abstract

Abstract: Ab initio fully differential cross-sections for electron scattering in liquid xenon are developed from a solution of the Dirac–Fock scattering equations, using a recently developed framework (Boyle et al 2015 J. Chem. Phys .142 154507) which considers multipole polarizabilities, a non-local treatment of exchange, and screening and coherent scattering effects. A multi-term solution of Boltzmann's equation accounting for the full anisotropic nature of the differential cross-section is used to calculate transport properties of excess electrons in liquid xenon. The results were found to agree to within 25% of the measured mobilities and characteristic energies over the reduced field range of 10 −4 –1 Td. The accuracies are comparable to those achieved in the gas phase. A simple model, informed by highly accurate gas-phase cross-sections, is presented to improve the liquid cross-sections, which was found to enhance the accuracy of the transport coefficient calculations.