Publications

Order by: publication date number of citations

• Codebase release 1.0 for DanceQ

  Robin Schäfer, David J. Luitz

  SciPost Phys. Codebases 48-r1.0 (2025) · published 5 February 2025 | Toggle abstract · src

  The complexity of quantum many-body problems scales exponentially with the size of the system, rendering any finite-size scaling analysis a formidable challenge. This is particularly true for methods based on the full representation of the wave function, where one simply accepts the enormous Hilbert space dimensions and performs linear algebra operations, e.g., for finding the ground state of the Hamiltonian. If the system satisfies an underlying symmetry where an operator with a degenerate spectrum commutes with the Hamiltonian, it can be block-diagonalized, thus reducing the complexity at the expense of additional bookkeeping. At the most basic level required for Krylov space techniques (like the Lanczos algorithm), it is necessary to implement a matrix-vector product of a block of the Hamiltonian with arbitrary block-wavefunctions, potentially without holding the Hamiltonian block in memory. An efficient implementation of this operation requires the calculation of the position of an arbitrary basis vector in the canonical ordering of the basis of the block. We present here an elegant and powerful, multi-dimensional approach to this problem for the $U(1)$ symmetry appearing in problems with particle number conservation. Our divide-and-conquer algorithm uses multiple subsystems and hence generalizes previous approaches to make them scalable. In addition to the theoretical presentation of our algorithm, we provide DanceQ, a flexible and modern – header only – C++20 implementation to manipulate, enumerate, and map to its index any basis state in a given particle number sector as open source software under https://DanceQ.gitlab.io/danceq.

  1 citation

• Extracting the symmetries of nonequilibrium quantum many-body systems

  Aleksandr N. Mikheev, Viktoria Noel, Ido Siovitz, Helmut Strobel, Markus K. Oberthaler, Jürgen Berges

  SciPost Phys. 18, 044 (2025) · published 4 February 2025 | Toggle abstract · pdf

  Symmetries play a pivotal role in our understanding of the properties of quantum many-body systems. While there are theorems and a well-established toolbox for systems in thermal equilibrium, much less is known about the role of symmetries and their connection to dynamics out of equilibrium. This arises due to the direct link between a system's thermal state and its Hamiltonian, which is generally not the case for nonequilibrium dynamics. Here we present a pathway to identify the effective symmetries and to extract them from data in nonequilibrium quantum many-body systems. Our approach is based on exact relations between correlation functions involving different numbers of spatial points, which can be viewed as nonequilibrium versions of (equal-time) Ward identities encoding the symmetries of the system. We derive symmetry witnesses, which are particularly suitable for the analysis of measured or simulated data at different snapshots in time. To demonstrate the potential of the approach, we apply our method to numerical and experimental data for a spinor Bose gas. We investigate the important question of a dynamical restoration of an explicitly broken symmetry of the Hamiltonian by the initial state. Remarkably, it is found that effective symmetry restoration can occur long before the system equilibrates. We also use the approach to define and identify spontaneous symmetry breaking far from equilibrium, which is of great relevance for applications to nonequilibrium phase transitions. Our work opens new avenues for the classification and analysis of quantum as well as classical many-body dynamics in a large variety of systems, ranging from ultracold quantum gases to cosmology.

  1 citation

• Fractional domain wall statistics in spin chains with anomalous symmetries

  Jose Garre Rubio, Norbert Schuch

  SciPost Phys. 18, 043 (2025) · published 4 February 2025 | Toggle abstract · pdf

  We study the statistics of domain wall excitations in quantum spin chains. We focus on systems with finite symmetry groups represented by matrix product unitaries (MPUs), i.e. finite depth quantum circuits. Such symmetries can be anomalous, in which case gapped phases which they support must break the symmetry. The lowest lying excitations of those systems are thus domain wall excitations. We investigate the behavior of these domain walls under exchange, and find that they can exhibit non-trivial exchange statistics. This statistics is completely determined by the anomaly of the symmetry, and we provide a direct relation between the known classification of MPU symmetry actions on ground states and the domain wall statistics. Already for the simplest case of a $\mathbb Z_2$ symmetry, we obtain that the presence of an anomalous MPU symmetry gives rise to domain wall excitations which behave neither as bosons nor as fermions, but rather exhibit fractional statistics. Finally, we show that the exchange statistics of domain walls is a physically accessible quantity, by devising explicit measurement operators through which it can be determined.

• Exciton dissociation in organic solar cells: An embedded charge transfer state model

  Jouda Jemaa Khabthani, Khouloud Chika, Alexandre Perrin, Didier Mayou

  SciPost Phys. 18, 038 (2025) · published 31 January 2025 | Toggle abstract · pdf

  Organic solar cells are a promising avenue for renewable energy, and our study introduces a comprehensive model to investigate exciton dissociation processes at the donor-acceptor interface. Examining quantum efficiency and emitted phonons in the charge transfer state (CTS), we explore scenarios like variations of the environment beyond the CTS and repulsive/attractive potentials. The donor-acceptor interface significantly influences the injection process, with minimal impact from the environment beyond the CTS. Attractive potentials can create localized electron states at the interface, below the acceptor band, without necessarily hampering a good injection at higher energies. Exploring different recombination processes, including acceptor-side and donor-side recombination, presents distinct phases for the injection process versus the initial energy of the electron and the recombination rate. Our study highlights the important role of the type of recombination in determining the quantum efficiency and the existence of hot or cold charge transfer states. Finally, depending on the initial energy of the electron on the donor side, three distinct injection regimes are exhibited. The present model should be helpful for optimizing organic photovoltaic cell interfaces, highlighting the critical parameter interplay for enhanced performance.

• Coalescing hardcore-boson condensate states with nonzero momentum

  C. H. Zhang, Z. Song

  SciPost Phys. Core 8, 013 (2025) · published 31 January 2025 | Toggle abstract · pdf

  Exceptional points (EPs), as an exclusive feature of a non-Hermitian system, support coalescing states to be alternative stable state beyond the ground state. In this work, we explore the influence of non-Hermitian impurities on the dynamic formation of condensate states in one-, two-, and three-dimensional extended Bose-Hubbard systems with strong on-site interaction. Based on the solution for the hardcore limit, we show exactly that condensate modes with off-diagonal long-range order (ODLRO) can exist when certain system parameters satisfy specific matching conditions. Under open boundary conditions, the condensate states become coalescing states when the non-Hermitian $\mathcal{PT}$-symmetric boundary gives rise to the EPs. The fundamental mechanism behind this phenomenon is uncovered through analyzing the scattering dynamics of many-particle wavepackets at the non-Hermitian boundaries. The EP dynamics facilitate the dynamic generation of condensate states with non-zero momentum. To further substantiate the theoretical findings, numerical simulations are conducted. This study not only unveils the potential condensation of interacting bosons but also offers an approach for the engineering of condensate states.

• Interaction and collision of skyrmions in chiral antiferromagnets

  George Theodorou, Bruno Barton-Singer, Stavros Komineas

  SciPost Phys. 18, 037 (2025) · published 30 January 2025 | Toggle abstract · pdf

  Skyrmions in an antiferromagnet can travel as solitary waves in stark contrast to the situation in ferromagnets. Traveling skyrmion solutions have been found numerically in chiral antiferromagnets. We study head-on collision events between two skyrmions. We find that the result of the collision depends on the initial velocity of the skyrmions. For small velocities, the skyrmions shrink as they approach, then bounce back and eventually acquire almost their initial speed. For larger velocities, the skyrmions approach each other and shrink until they become singular points at some finite separation and are eventually annihilated. Considering skyrmion energetics, we can determine the regimes of the different dynamical behaviors. Using a collective co-ordinate approach, we reproduce the dynamics of the collisions including the variation of the size of the skyrmions and collapse above a critical velocity.

• Critical analysis of multiple reentrant localization in an antiferromagnetic helix with transverse electric field: Hopping dimerization-free scenario

  Sudin Ganguly, Sourav Chattopadhyay, Kallol Mondal, Santanu K. Maiti

  SciPost Phys. Core 8, 012 (2025) · published 30 January 2025 | Toggle abstract · pdf

  Reentrant localization (RL), a recently prominent phenomenon, traditionally links to the interplay of staggered correlated disorder and hopping dimerization, as indicated by prior research. Contrary to this paradigm, our present study demonstrates that hopping dimerization is not a pivotal factor in realizing RL. Considering a helical magnetic system with antiferromagnetic ordering, we uncover spin-dependent RL at multiple energy regions, in the absence of hopping dimerization. This phenomenon persists even in the thermodynamic limit. The correlated disorder in the form of Aubry-André-Harper model is introduced by applying a transverse electric field to the helical system, circumventing the use of traditional substitutional disorder. We conduct a finite-size scaling analysis on the observed reentrant phases to identify critical points, determine associated critical exponents, and examine the scaling behavior linked to localization transitions. Additionally, we explore the parameter space to identify the conditions under which the reentrant phases occur. Described within a tight-binding framework, present work provides a novel outlook on RL, highlighting the crucial role of electric field, antiferromagnetic ordering, and the helicity of the geometry. Potential applications and experimental realizations of RL phenomena are also explored.

• Free fermions with dephasing and boundary driving: Bethe Ansatz results

  Vincenzo Alba

  SciPost Phys. Core 8, 011 (2025) · published 30 January 2025 | Toggle abstract · pdf

  By employing the Lindblad equation, we derive the evolution of the two-point correlator for a free-fermion chain of length $L$ subject to bulk dephasing and boundary losses. We use the Bethe Ansatz to diagonalize the Liouvillian $\mathcal{L}^{(2)}$ governing the dynamics of the correlator. The majority of its eigenvalues are complex. Precisely, $L(L-1)/2$ complex eigenvalues do not depend on dephasing, apart from a trivial shift. The remaining complex levels are perturbatively related to the dephasing-independent ones for large $L$. The long-time dynamics is governed by a band of real eigenvalues, which contains an extensive number of levels. They give rise to diffusive scaling at intermediate times, when boundaries can be neglected. Moreover, they encode the breaking of diffusion at asymptotically long times. Interestingly, for large loss rate two boundary modes appear in the spectrum. The real eigenvalues correspond to string solutions of the Bethe equations, and can be treated effectively for large chains. This allows us to derive compact formulas for the dynamics of the fermionic density. We check our results against exact diagonalization, finding perfect agreement.

  3 citations

• kdotpy: k·p theory on a lattice for simulating semiconductor band structures

  Wouter Beugeling, Florian Bayer, Christian Berger, Jan Böttcher, Leonid Bovkun, Christopher Fuchs, Maximilian Hofer, Saquib Shamim, Moritz Siebert, Li-Xian Wang, Ewelina M. Hankiewicz, Tobias Kießling, Hartmut Buhmann, Laurens W. Molenkamp

  SciPost Phys. Codebases 47 (2025) · published 28 January 2025 | Toggle abstract · pdf

  The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with k·p theory on a lattice. The application implements the widely used Kane model, capable of reliable predictions of transport and optical properties for a large variety of topological and non-topological materials with a zincblende crystal structure. The application automates the tedious steps of simulating band structures. The user inputs the relevant physical parameters on the command line, for example materials and dimensions of the device, magnetic field, and temperature. The program constructs the appropriate matrix Hamiltonian on a discretized lattice of spatial coordinates and diagonalizes it. The physical observables are extracted from the eigenvalues and eigenvectors and saved as output. The program is highly customizable with a large set of configuration options and material parameters.

  3 citations

• Codebase release 1.0 for kdotpy

  Wouter Beugeling, Florian Bayer, Christian Berger, Jan Böttcher, Leonid Bovkun, Christopher Fuchs, Maximilian Hofer, Saquib Shamim, Moritz Siebert, Li-Xian Wang, Ewelina M. Hankiewicz, Tobias Kießling, Hartmut Buhmann, Laurens W. Molenkamp

  SciPost Phys. Codebases 47-r1.0 (2025) · published 28 January 2025 | Toggle abstract · src

  The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with k·p theory on a lattice. The application implements the widely used Kane model, capable of reliable predictions of transport and optical properties for a large variety of topological and non-topological materials with a zincblende crystal structure. The application automates the tedious steps of simulating band structures. The user inputs the relevant physical parameters on the command line, for example materials and dimensions of the device, magnetic field, and temperature. The program constructs the appropriate matrix Hamiltonian on a discretized lattice of spatial coordinates and diagonalizes it. The physical observables are extracted from the eigenvalues and eigenvectors and saved as output. The program is highly customizable with a large set of configuration options and material parameters.

  1 citation