Stable bipolarons in open quantum systems

Moroder, M.; Grundner, M.; Damanet, François; Schollwöck, Ulrich; Mardazad, Sam; Flannigan, Stuart; Köhler, Thorsten; Paeckel, Sebastian

doi:10.1103/physrevb.107.214310

Cited by 8 publications

(1 citation statement)

References 160 publications

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“…2, the basic algorithm is completely generic, i.e., it is not predicated on the dynamics of the system being of a specific type. Thus, our approach can be immediately generalized to quasi 1D systems with, e.g., explicit periodic driving (i.e., Floquettype dynamics [27,28]), or non-unitary dynamics as encountered in open quantum systems (quantum trajectories [29] or full master-equation [30] for Markovian baths, hierarchy of pure states (HOPS) [31] or projected purified MPS (ppMPS) enabled quantum trajectories [32] for non-Markovian ones); MPS-approaches have extensive track records in all these domains, but each of them would represent separate projects of their own and are thus not the subject of the present work.…”

Section: Introductionmentioning

confidence: 99%

Transient superconductivity in three-dimensional Hubbard systems by combining matrix-product states and self-consistent mean-field theory

Marten,

Bollmark,

Köhler

et al. 2023

SciPost Phys.

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We combine matrix-product-state (MPS) and mean-field (MF) methods to model the real-time evolution of a three-dimensional (3D) extended Hubbard system formed from one-dimensional (1D) chains arrayed in parallel with weak coupling in-between them. This approach allows us to treat much larger 3D systems of correlated fermions out-of-equilibrium over a much more extended real-time domain than previous numerical approaches. We deploy this technique to study the evolution of the system as its parameters are tuned from a charge-density wave phase into the superconducting regime, which allows us to investigate the formation of transient non-equilibrium superconductivity. In our ansatz, we use MPS solutions for chains as input for a self-consistent time-dependent MF scheme. In this way, the 3D problem is mapped onto an effective 1D Hamiltonian that allows us to use the MPS efficiently to perform the time evolution, and to measure the BCS order parameter as a function of time. Our results confirm previous findings for purely 1D systems that for such a scenario a transient superconducting state can occur.

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Section: Introductionmentioning

confidence: 99%

Transient superconductivity in three-dimensional Hubbard systems by combining matrix-product states and self-consistent mean-field theory

Marten,

Bollmark,

Köhler

et al. 2023

SciPost Phys.

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Kylin-V: An open-source package calculating the dynamic and spectroscopic properties of large systems

Xu,

Liu,

2024

The Journal of Chemical Physics

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Quantum dynamics simulation and computational spectroscopy serve as indispensable tools for the theoretical understanding of various fundamental physical and chemical processes, ranging from charge transfer to photochemical reactions. When simulating realistic systems, the primary challenge stems from the overwhelming number of degrees of freedom and the pronounced many-body correlations. Here, we present Kylin-V, an innovative quantum dynamics package designed for accurate and efficient simulations of dynamics and spectroscopic properties of vibronic Hamiltonians for molecular systems and their aggregates. Kylin-V supports various quantum dynamics and computational spectroscopy methods, such as time-dependent density matrix renormalization group and our recently proposed single-site and hierarchical mapping approaches, as well as vibrational heat-bath configuration interaction. In this paper, we introduce the methodologies implemented in Kylin-V and illustrate their performances through a diverse collection of numerical examples.

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Photo-induced dynamics with continuous and discrete quantum baths

Xie,

Moroder,

Schollwöck

et al. 2024

The Journal of Chemical Physics

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The ultrafast quantum dynamics of photophysical processes in complex molecules is an extremely challenging computational problem with a broad variety of fascinating applications in quantum chemistry and biology. Inspired by recent developments in open quantum systems, we introduce a pure-state unraveled hybrid-bath method that describes a continuous environment via a set of discrete, effective bosonic degrees of freedom using a Markovian embedding. Our method is capable of describing both, a continuous spectral density and sharp peaks embedded into it. Thereby, we overcome the limitations of previous methods, which either capture long-time memory effects using the unitary dynamics of a set of discrete vibrational modes or use memoryless Markovian environments employing a Lindblad or Redfield master equation. We benchmark our method against two paradigmatic problems from quantum chemistry and biology. We demonstrate that compared to unitary descriptions, a significantly smaller number of bosonic modes suffices to describe the excitonic dynamics accurately, yielding a computational speed-up of nearly an order of magnitude. Furthermore, we take into account explicitly the effect of a δ-peak in the spectral density of a light-harvesting complex, demonstrating the strong impact of the long-time memory of the environment on the dynamics.

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Stable bipolarons in open quantum systems

Cited by 8 publications

References 160 publications

Transient superconductivity in three-dimensional Hubbard systems by combining matrix-product states and self-consistent mean-field theory

Transient superconductivity in three-dimensional Hubbard systems by combining matrix-product states and self-consistent mean-field theory

Kylin-V: An open-source package calculating the dynamic and spectroscopic properties of large systems

Photo-induced dynamics with continuous and discrete quantum baths

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