Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices
Kade Head-Marsden, David A. Mazziotti
Treatment of Markovian, many-electron dynamics from the solution of the Lindblad equation for the 1-electron reduced density matrix requires additional constraints on the bath operators to maintain fermion statistics. Recently, we generalized Lindblad's formalism to non-Markovian dynamics through an ensemble of Lindbladian trajectories. Here we show that the fermion statistics of non-Markovian dynamics can be enforced through analogous constraints on the bath operators of each Lindbladian trajectory in the ensemble. To illustrate, we apply the non-Markovian method to three distinct systems of two fermions in three levels. While the electrons violate the fermion statistics without the constraints, correct fermion behavior is recovered with the constraints.
The Journal of Chemical Physics•Jul 18, 2019•11 citations