Exact time-dependent Kohn-Sham potential for interacting few-body systems.

Rudolph J Magyar

Published Aug 12, 2016• 0 citations

Abstract

Exact Time-Dependent Kohn-Sham Potential for Interacting Few-Body SystemsTime-dependent density functional theory enables practical simulations of the dynamic many-electron systems, but one of the biggest obstacles to reliable application is the quality of the approximate potential.It is often difficult to determine whether ever-more sophisticated approximations properly include new physics, as there exist few benchmark exact potentials.Towards this ends, we have developed and tested a scheme to extract the exact (non-adiabatic) time-dependent Kohn-Sham potential for few body systems.We will present some examples on 1D model systems.The approach is general and can be used to back engineer high-level quantum mechanical simulations to gain insight into TDDFT on a broad scale.

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