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Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices
Kade Head-Marsden1, David A Mazziotti1
1Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, USA.
Abstract:
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.
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