Differential cross sections for electron/positron scattering from polyatomic molecules

被引：172

作者：

Sanna, N

Gianturco, FA

机构：

[1] CASPUR, Ctr Supercomp Applicat Sci Res, I-00185 Rome, Italy

[2] Univ Rome, Dept Chem, I-00185 Rome, Italy

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1998年 / 114卷 / 1-3期

关键词：

electron/positron-molecule scattering; differential cross sections; polar targets;

D O I：

10.1016/S0010-4655(98)00091-5

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

We describe a new computational code which allows for the calculation of elastic and rotationally inelastic differential cross sections (DCS) for electron/positron scattering from neutral polyatomic molecules with and without permanent dipole moments. The computation can deal both with linear and nonlinear systems. In the case of polar targets a procedure which corrects for the nonconvergence of the DCS in the Body-Fixed (BF) frame is described and implemented, The corresponding state-to-state rotationally inelastic and rotationally summed differential cross sections for rotational transitions involving spherical, symmetric and asymmetric top rotors are also given by the present code. (C) 1998 Published by Elsevier Science B.V.

引用

页码：142 / 167

页数：26

共 15 条

[1] THE THEORY OF LOW-ENERGY POSITRON COLLISIONS WITH MOLECULES [J].