Calculation of the Electronic Stopping Cross-Sections of Compounds for Low Energy Protons by Using Molecular Orbitals

Abstract

The modified Firsov model has been applied to the calculation of the electronic stopping cross-section of compounds for low energy protons by using molecular orbitals. We used the Symmetry Adapted Linear Combination of Atomic Orbitals representation of molecular orbitals, instead of Floating Spherical Gaussian Orbitals. We used Gaussian and Slater type orbitals as a basis set of atomic orbitals. By applying this method, the electronic stopping cross-sections of compounds have been calculated by considering compounds as a whole, without separating core and bond orbitals of compounds and the concept of molecular fragments. © 2006 Elsevier B.V. All rights reserved.