Correlated model atom in a time-dependent external field: Sign effect in the energy shift

Abstract

Abstract In this contribution we determine the exact solution for the ground-state wave function of a two-particle correlated model atom with harmonic interactions. From that wave function, the nonidempotent one-particle reduced density matrix is deduced. Its diagonal gives the exact probability density, the basic variable of density functional theory (DFT). The one-matrix is directly decomposed, in a point-wise manner, in terms of natural orbitals and their occupation numbers, i.e., in terms of its eigenvalues and normalized eigenfunctions. The exact informations are used to fix three, approximate, independent-particle models. Next, a time-dependent external field of finite duration is added to the exact and approximate Hamiltonians and the resulting Cauchy problem is solved. The impact of the external field is investigated by calculating the energy shift generated by that time-dependent field. It is found that the nonperturbative energy shift reflects the sign of the driving field. The exact probability density and current are used, as inputs, to investigate the capability of a formally exact independent-particle modeling in time-dependent DFT as well. The results for the observable energy shift are analyzed by using realistic estimations for the parameters of the two-particle target and the external field. A comparison with the experimental prediction on the sign-dependent energy loss of swift protons and antiprotons in a gaseous He target is made.