Efficient steady state solver for the hierarchical equations of motion approach: Formulation and application to charge transport through nanosystems

Christoph Kaspar; Michael Thoss

doi:10.1021/acs.jpca.1c02863

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arXiv · 2103.16529

Efficient steady state solver for the hierarchical equations of motion approach: Formulation and application to charge transport through nanosystems

Christoph Kaspar·Michael Thoss

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Abstract

An iterative approach is introduced, which allows the efficient solution of the hierarchical equations of motion (HEOM) for the steady state of open quantum systems. The approach combines the method of matrix equations with an efficient preconditioning technique to reduce the numerical effort of solving the HEOM. Illustrative applications to simulate nonequilibrium charge transport in single-molecule junctions demonstrate the performance of the method.

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Christoph Kaspar, Michael Thoss. 2021-03-30. Efficient steady state solver for the hierarchical equations of motion approach: Formulation and application to charge transport through nanosystems. https://doi.org/10.1021/acs.jpca.1c02863

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