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Christopher Stahl

Publications and source records attributed to Christopher Stahl.

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NESSi 2.0: The Non-Equilibrium Systems Simulation package version 2.0

Nonequilibrium Green's functions provide a powerful framework for studying quantum many-body dynamics including the laser-induced dynamics in solids. The Non-Equilibrium Systems Simulation package (NESSi) offers an efficient platform for such simulations, ranging from perturbative approaches like nonequilibrium $GW$ to nonequilibrium dynamical mean-field theory. However, simulations based on nonequilibrium Green's functions become computationally demanding when the dynamics span a large temporal range, such as from sub-femtosecond electron dynamics to the picosecond dynamics of collective modes. Due to the memory integral in the Kadanoff-Baym equations, which serve as equations of motion for nonequilibrium Green's functions, the computational cost scales as $\mathcal{O}(N_t^3)$ with the number of timesteps $N_t$, and the memory requirement scales as $\mathcal{O}(N_t^2)$. In this work, we extend NESSi by incorporating techniques that aim to overcome this bottleneck: (i) By truncating the memory integrals in the KBE to a maximum of $N_c$ timesteps, the computational complexity is reduced to $\mathcal{O}(N_tN_c^2)$, and the memory requirement to $\mathcal{O}(N_c^2)$. Provided that the results converge with respect to the cutoff $N_c$, memory truncation allows to extend the simulations to significantly longer times. (ii) We introduce functionalities to describe nonequilibrium steady states, i.e. time-translationally invariant nonequilibrium states. Such states are relevant for transport settings, and they provide an approximate description of slowly evolving (prethermal) nonequilibrium states.

cond-mat.str-el

Memory truncated Kadanoff-Baym equations

The Keldysh formalism for nonequilibrium Green's functions is a powerful theoretical framework for the description of the electronic structure, spectroscopy, and dynamics of strongly correlated systems. However, the underlying Kadanoff-Baym equations (KBE) for the two-time Keldysh Green's functions involve a memory kernel which results in a high computational cost for long simulation times $t_\text{max}$, with a cubic scaling of the computation time with $t_\text{max}$. Truncation of the memory kernel can reduce the computational cost to linear scaling with $t_\text{max}$, but the required memory times will depend on the model and the diagrammatic approximation to the self-energy. We explain how a truncation of the memory kernel can be incorporated into the time-propagation algorithm to solve the KBE, and investigate the systematic truncation of the memory kernel for the Hubbard model in different parameter regimes, and for different diagrammatic approximations. The truncation is easier to control within dynamical mean-field solutions, where it is applied to a momentum-independent self-energy. Here, simulation times up to two orders of magnitude longer are accessible both in the weak and strong coupling regime, allowing for a study of long-time phenomena such as the crossover between pre-thermalization and thermalization dynamics.

cond-mat.str-el

Electronic and fluctuation dynamics following a quench to the superconducting phase

We investigate the dynamics of superconducting fluctuations in the attractive three-dimensional Hubbard model after a quench from the disordered phase to the ordered regime. While the long time evolution is well understood in terms of dissipative time-dependent Ginzburg-Landau models with unstable potentials, early times are more demanding due to the inseparable dynamics of the pairing fluctuations and the electronic quasiparticles. Our simulation using the time-dependent fluctuation exchange approximation treat both degrees of freedom on the same footing and reveal a non-thermal electronic regime causing a non-monotonous growth of the fluctuations. This feature is not directly captured from the Ginzburg-Landau theory, but nevertheless remains observable beyond the thermalization time of the electrons. We further explore how the growth of the order parameter fluctuations leads to an opening of a pseudo-gap in the electronic spectrum, and identify Andreev reflections as the dominant mechanism behind the gap opening.

cond-mat.str-el

Noise Correlations in time- and angular-resolved photoemission spectroscopy

In time-resolved photoemission experiments, more than one electron can be emitted from the solid by a single ultra-short pulse. We theoretically demonstrate how correlations between the momenta of outgoing electrons relate to time-dependent two-particle correlations in the solid. This can extend the scope of time- and angular-resolved photoemission spectroscopy to probe superconducting and charge density fluctuations in systems without long-range order, and to reveal their dynamics independent of the electronic gap and thus unrestricted by the energy-time uncertainty. The proposal is illustrated for superconductivity in a BCS model. An impulsive perturbation can quench the gap on ultrafast timescales, while non-equilibrium pairing correlations persist much longer, even when electron-electron scattering beyond mean-field theory is taken into account. There is thus a clear distinction between a dephasing of the Cooper pairs and the thermalization into the normal state. While a measurement of the gap would be blind to such pairing correlations, they can be revealed by the angular correlations in photoemission.

cond-mat.str-el

Anomalous spin precession under a geometrical torque

Precession and relaxation predominantly characterize the real-time dynamics of a spin driven by a magnetic field and coupled to a large Fermi sea of conduction electrons. We demonstrate an anomalous precession with frequency higher than the Larmor frequency or with inverted orientation in the limit where the electronic motion adiabatically follows the spin dynamics. For a classical spin, the effect is traced back to a geometrical torque resulting from a finite spin Berry curvature.

cond-mat.mes-hall