Differential cross sections for electron/positron scattering from polyatomic molecules

Published: 1 November 1998| Version 1 | DOI: 10.17632/8p8y4n6rst.1
Contributors:
N. Sanna, F.A. Gianturco

Description

Abstract 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 molecule 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... Title of program: POLYDCS Catalogue Id: ADJB_v1_0 Nature of problem Scattering of slow electrons and positrons from polyatomic molecules of arbitrary shape. Elastic angular distributions and rotationally inelastic differential cross sections. Versions of this program held in the CPC repository in Mendeley Data ADJB_v1_0; POLYDCS; 10.1016/S0010-4655(98)00091-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Physical Chemistry, Molecular Physics, Computational Physics

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