Abstract
The numerical efficiency of different schemes for solving the Liouville-von Neumann equation within Redfield theory has been studied. Among the tested algorithms are the general Runge-Kutta and Bulirsch-Stoer methods as well as methods especially developed for time propagation like the Short Iterative Arnoldi and Newtonian propagators. Also two different time step control mechanisms have been applied. The calculations have been performed for a system consisting of two charge localization centers modeling electron transfer. Two different cases have been investigated, i.e., the coherent dissipationless and the dissipative case. The tested integrators perform quite differently for these cases.
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