The close-coupling-single center-expansion (CC-SCE) model for electron scattering from polyatomic targets

摘要

The theoretical and computational study of elastic integral and differential cross sections for fairly large polyatomic targets is described in terms of quantum close-coupled scattering equations cast within a symmetry-adapted, single center expansion form of target wavefunctions, continuum electrons, and interaction potential. The latter is introduced in a local, real model form, and examples of its level of agreement with experiments are given for a class of many-electron, polyatomic molecules like the halogenated silane derivatives. (C) 2001 John Wiley & Sons, Inc. [References: 31]