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physics.comp-ph2018

Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods

Adrián Gómez Pueyo, Miguel A. L. Marques, Angel Rubio +1

We examine various integration schemes for the time-dependent Kohn-Sham equations. Contrary to the time-dependent Schrödinger's equation, this set of equations is non-linear, due t…