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arXiv · 2011.10542

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

Björn Baumeier·Onur Çaylak·Carlo Mercuri·Mark Peletier·Georg Prokert·Wouter Scharpach
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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 (LDA), identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.

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Björn Baumeier, Onur Çaylak, Carlo Mercuri, Mark Peletier, Georg Prokert, Wouter Scharpach. 2020-11-20. Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics. https://arxiv.org/abs/2011.10542

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