A Real-time Dyson Expansion Scheme: Efficient Inclusion of Dynamical Correlations in Non-equilibrium Spectral Properties
Abstract: Time-resolved photoemission spectroscopy is the key technique to probe the real-time non-equilibrium dynamics of electronic states. Theoretical predictions of the time dependent spectral function for realistic systems is however, a challenge. Employing the Kadanoff-Baym equations to find this quantity results in a cubic scaling in the total number of time steps, quickly becoming prohibitive and often fail quantitatively and even qualitatively. In comparison, mean-field methods have more favorable numerical scaling both in the number of time steps and in the complexity associated with the cost of evolving for a single time step, however they miss key spectral properties such as emergent spectral features. Here we present a scheme that allows for the inclusion of dynamical correlations to the spectral function while maintaining the same scaling in the number of time steps as for mean-field approaches, while capturing the emergent physics. Further, the scheme can be efficiently implemented on top of equilibrium real-time many-body perturbation theory schemes and codes. We see excellent agreement with exact results for test systems. Furthermore we exemplify the method on a periodic system and demonstrate clear evidence that our proposed scheme produces complex spectral features including excitonic band replicas, features that are not observed using static mean-field approaches.
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