Multiple scattering model considering the vibration effect

Abstract

Abstract The independent atomic (IAM) and the multiple scattering (MS) models are recently adopted to extract the molecular geometrical structures from the electron diffraction images, especially, in the laser-induced electron diffraction. In this study, firstly, we clarify the working range of the MS and the IAM models by comparing its diffraction images at various collision energies. We claim that the MS model is effective at low energy of incident electron while both MS and IAM models give similar results at high collision energy. Secondly, we successfully develop the MS model by numerically including the molecular vibration. By comparing with the diffraction patterns calculated within the IAM model at considerably high collision energy, we verify the accuracy of the developed MS model. We show that the diffraction curves simulated by the MS and IAM methods considering the vibration effect are consistent with each other. Moreover, the extracted interatomic distance from diffraction images well agrees with the initial input. This evidence proves that the MS model with the vibration effect is reliable.