Vicinage effect in the energy loss of H2 dimers: Experiment and calculations based on time-dependent density-functional theory

Abstract

We present a combined theoretical and experimental study of the energy loss of ${\mathrm{H}}_{2}{}^{+}$ molecular ions interacting with thin oxide and carbon films. As a result of quantum mechanical interference of the target electrons, the energy loss of a molecular projectile differs from the sum of the energy losses of individual atomic projectiles. This difference is known as the vicinage effect. Calculations based on the time-dependent density functional theory allow the first-principles description of the dynamics of target excitations produced by the correlated motion of the nucleons forming the molecule. We investigate in detail the dependence of the vicinage effect on the speed and charge state of the projectile and find an excellent agreement between calculated and measured data.