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DOE OSTI · 1825439

Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems

Löthman, Tomas·Triola, Christopher Lawrence Charles·Cayao, Jorge·Black-Schaffer, Annica M.
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Abstract

In this work we develop EPOCH (equilibrium propagator by orthogonal polynomial chain), a computationally efficient method to calculate the time-dependent equilibrium Green's functions, including the anomalous Green's functions of superconductors, to capture the time evolution in large inhomogeneous systems. The EPOCH method generalizes the Chebyshev wave-packet propagation method from quantum chemistry and efficiently incorporates the Fermi-Dirac statistics that is needed for equilibrium quantum condensed matter systems. The computational cost of EPOCH scales only linearly in the system degrees of freedom, generating an extremely efficient algorithm also for very large systems. We demonstrate the power of the EPOCH method by calculating the time evolution of an excitation near a superconductor–normal metal interface in two and three dimensions, capturing transmission as well as normal and Andreev reflections.

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BibTeXRIS

Löthman, Tomas, Triola, Christopher Lawrence Charles, Cayao, Jorge, Black-Schaffer, Annica M.. 2021-09-02. Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems. https://doi.org/10.1103/physrevb.104.125405

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