Chiral effects in electron scattering by molecules using a continuum multiple scattering method

被引:12
作者
Smith, IM [1 ]
Thompson, DG
Blum, K
机构
[1] Queens Univ Belfast, Dept Appl Math & Theoret Phys, Belfast BT7 1NN, Antrim, North Ireland
[2] Univ Munster, Inst Theoret Phys 1, D-48149 Munster, Germany
关键词
D O I
10.1088/0953-4075/31/17/022
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We present a method for calculating chiral observables in the elastic scattering of electrons by closed shell molecules with particular emphasis on the molecules being large and containing more than one heavy nucleus. We use an extension of the continuum multiple scattering method in which the molecular region is divided into 'atomic' spherical regions centred on each nucleus. The interaction potential in each region is the the sum of a spherically symmetric spin-independent term and a spin-orbit term; the interaction potential between the 'atomic' spheres and inside the molecule is constant. Solutions are obtained in each region, and between the regions; enforcing continuity of the solutions across region boundaries leads to a K-matrix and a scattering amplitude, from which the chiral observables are obtained. The method is tested for HCl against a fuller treatment in which exchange and spin-orbit interactions are included exactly. Applications are also made to HBr, Br-2, and two chiral molecules H2S2 and CHBrClF.
引用
收藏
页码:4029 / 4058
页数:30
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