Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics

Authors Björn Baumeier, Onur Çaylak, Carlo Mercuri, Mark A. Peletier, Georg Prokert, Wouter Scharpach

Abstract: We prove existence and uniqueness of solutions to the initial-value problem associated with a class of time-dependent Kohn-Sham equations coupled with Newtonian nuclear dynamics. We consider a pure power exchange term within a generalisation of the local density approximation, identifying a range of exponents for the existence and uniqueness of

H^{2}

solutions to the Kohn-Sham equations.

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