Calculations of Inelastic Tunneling Cross Sections Using Self-Consistent Multiple Scattering Techniques
In the theory of inelastic electron scattering from molecules, it is known that the distortion of the initial and final state electronic wavefunction caused by elastic scattering plays an important role. Strong resonances in the inelastic cross section which mirror resonances in the elastic scattering dramatically illustrate this effect. We have developed a multiple scattering approach to include such elastic scattering effects. The scattered wave muffin-tin potential method is used to calculate the scattering amplitude f for fixed nuclear positions, “f” then acts as an effective potential for the inelastic scattering process. Multiphonon processes are obtained in addition to single phonon transitions. The theory is being applied both to tunneling and positive energy scattering processes and results will be discussed.