Publications

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• Low rank compression in the numerical solution of the nonequilibrium Dyson equation

  Jason Kaye, Denis Golež

  SciPost Phys. 10, 091 (2021) · published 26 April 2021 | Toggle abstract · pdf

  We propose a method to improve the computational and memory efficiency of numerical solvers for the nonequilibrium Dyson equation in the Keldysh formalism. It is based on the empirical observation that the nonequilibrium Green's functions and self energies arising in many problems of physical interest, discretized as matrices, have low rank off-diagonal blocks, and can therefore be compressed using a hierarchical low rank data structure. We describe an efficient algorithm to build this compressed representation on the fly during the course of time stepping, and use the representation to reduce the cost of computing history integrals, which is the main computational bottleneck. For systems with the hierarchical low rank property, our method reduces the computational complexity of solving the nonequilibrium Dyson equation from cubic to near quadratic, and the memory complexity from quadratic to near linear. We demonstrate the full solver for the Falicov-Kimball model exposed to a rapid ramp and Floquet driving of system parameters, and are able to increase feasible propagation times substantially. We present examples with 262144 time steps, which would require approximately five months of computing time and 2.2 TB of memory using the direct time stepping method, but can be completed in just over a day on a laptop with less than 4 GB of memory using our method. We also confirm the hierarchical low rank property for the driven Hubbard model in the weak coupling regime within the GW approximation, and in the strong coupling regime within dynamical mean-field theory.

  38 citations

• The antiferromagnetic $S=1/2$ Heisenberg model on the C$_{60}$ fullerene geometry

  Roman Rausch, Cassian Plorin, Matthias Peschke

  SciPost Phys. 10, 087 (2021) · published 23 April 2021 | Toggle abstract · pdf

  We solve the quantum-mechanical antiferromagnetic Heisenberg model with spins positioned on vertices of the truncated icosahedron using the density-matrix renormalization group (DMRG). This describes magnetic properties of the undoped C$_{60}$ fullerene at half filling in the limit of strong on-site interaction $U$. We calculate the ground state and correlation functions for all possible distances, the lowest singlet and triplet excited states, as well as thermodynamic properties, namely the specific heat and spin susceptibility. We find that unlike smaller C$_{20}$ or C$_{32}$ that are solvable by exact diagonalization, the lowest excited state is a triplet rather than a singlet, indicating a reduced frustration due to the presence of many hexagon faces and the separation of the pentagonal faces, similar to what is found for the truncated tetrahedron. This implies that frustration may be tuneable within the fullerenes by changing their size. The spin-spin correlations are much stronger along the hexagon bonds and exponentially decrease with distance, so that the molecule is large enough not to be correlated across its whole extent. The specific heat shows a high-temperature peak and a low-temperature shoulder reminiscent of the kagomé lattice, while the spin susceptibility shows a single broad peak and is very close to the one of C$_{20}$.

  11 citations

• Mean-field model of interacting quasilocalized excitations in glasses

  Corrado Rainone, Pierfrancesco Urbani, Francesco Zamponi, Edan Lerner, and Eran Bouchbinder

  SciPost Phys. Core 4, 008 (2021) · published 16 April 2021 | Toggle abstract · pdf

  Structural glasses feature quasilocalized excitations whose frequencies $\omega$ follow a universal density of states ${\cal D}(\omega)\!\sim\!\omega^4$. Yet, the underlying physics behind this universality is not yet fully understood. Here we study a mean-field model of quasilocalized excitations in glasses, viewed as groups of particles embedded inside an elastic medium and described collectively as anharmonic oscillators. The oscillators, whose harmonic stiffness is taken from a rather featureless probability distribution (of upper cutoff $\kappa_0$) in the absence of interactions, interact among themselves through random couplings (characterized by strength $J$) and with the surrounding elastic medium (an interaction characterized by a constant force $h$). We first show that the model gives rise to a gapless density of states ${\cal D}(\omega)\!=\!A_{\rm g}\,\omega^4$ for a broad range of model parameters, expressed in terms of the strength of stabilizing anharmonicity, which plays a decisive role in the model. Then --- using scaling theory and numerical simulations --- we provide a complete understanding of the non-universal prefactor $A_{\rm g}(h,J,\kappa_0)$, of the oscillators' interaction-induced mean square displacement and of an emerging characteristic frequency, all in terms of properly identified dimensionless quantities. In particular, we show that $A_{\rm g}(h,J,\kappa_0)$ is a non-monotonic function of $J$ for a fixed $h$, varying predominantly exponentially with $-(\kappa_0 h^{2/3}\!/J^2)$ in the weak interactions (small $J$) regime --- reminiscent of recent observations in computer glasses --- and predominantly decays as a power-law for larger $J$, in a regime where $h$ plays no role. We discuss the physical interpretation of the model and its possible relations to available observations in structural glasses, along with delineating some future research directions.

  26 citations

• A non-Abelian parton state for the $ν=2+3/8$ fractional quantum Hall effect

  Ajit Coimbatore Balram

  SciPost Phys. 10, 083 (2021) · published 15 April 2021 | Toggle abstract · pdf

  Fascinating structures have arisen from the study of the fractional quantum Hall effect (FQHE) at the even denominator fraction of $5/2$. We consider the FQHE at another even denominator fraction, namely $\nu=2+3/8$, where a well-developed and quantized Hall plateau has been observed in experiments. We examine the non-Abelian state described by the "$\bar{3}\bar{2}^{2}1^{4}$" parton wave function and numerically demonstrate it to be a feasible candidate for the ground state at $\nu=2+3/8$. We make predictions for experimentally measurable properties of the $\bar{3}\bar{2}^{2}1^{4}$ state that can reveal its underlying topological structure.

  26 citations

• Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces

  Thomas Köhler, Jan Stolpp, Sebastian Paeckel

  SciPost Phys. 10, 058 (2021) · published 9 March 2021 | Toggle abstract · pdf

  Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in quantum simulators have been extensively studied both theoretically and experimentally. In recent years, tensor network methods have become one of the most successful tools to treat such lattice systems numerically. Nevertheless, systems with large local Hilbert spaces remain challenging. Here, we introduce a mapping that allows to construct artificial $U(1)$ symmetries for any type of lattice model. Exploiting the generated symmetries, numerical expenses that are related to the local degrees of freedom decrease significantly. This allows for an efficient treatment of systems with large local dimensions. Further exploring this mapping, we reveal an intimate connection between the Schmidt values of the corresponding matrix\hyp product\hyp state representation and the single\hyp site reduced density matrix. Our findings motivate an intuitive physical picture of the truncations occurring in typical algorithms and we give bounds on the numerical complexity in comparison to standard methods that do not exploit such artificial symmetries. We demonstrate this new mapping, provide an implementation recipe for an existing code, and perform example calculations for the Holstein model at half filling. We studied systems with a very large number of lattice sites up to $L=501$ while accounting for $N_{\rm ph}=63$ phonons per site with high precision in the CDW phase.

  26 citations

• Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

  Santosh Kumar Radha, Walter R. L. Lambrecht

  SciPost Phys. 10, 057 (2021) · published 8 March 2021 | Toggle abstract · pdf

  First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO$_2$) terminated surfaces of finite slabs down to a monolayer, in remarkable contrast with the bulk band structure, which is stabilized by Li donating its electron to the CoO$_2$ layer forming a Co-$d-t_{2g}^6$ insulator. By mapping the first-principles computational results to a minimal tight-binding models corresponding to a non-chiral 3D generalization of the quadripartite Su-Schrieffer-Heeger (SSH4) model and symmetry analysis, we show that these surface states have topological origin.

  3 citations

• On the stability of the infinite Projected Entangled Pair Operator ansatz for driven-dissipative 2D lattices

  Dainius Kilda, Alberto Biella, Marco Schirò, Rosario Fazio, Jonathan Keeling

  SciPost Phys. Core 4, 005 (2021) · published 24 February 2021 | Toggle abstract · pdf

  We present calculations of the time-evolution of the driven-dissipative XYZ model using the infinite Projected Entangled Pair Operator (iPEPO) method, introduced by [A. Kshetrimayum, H. Weimer and R. Orús, Nat. Commun. 8, 1291 (2017)]. We explore the conditions under which this approach reaches a steady state. In particular, we study the conditions where apparently converged calculations may become unstable with increasing bond dimension of the tensor-network ansatz. We discuss how more reliable results could be obtained.

  14 citations

• Riemannian optimization of isometric tensor networks

  Markus Hauru, Maarten Van Damme, Jutho Haegeman

  SciPost Phys. 10, 040 (2021) · published 17 February 2021 | Toggle abstract · pdf

  Several tensor networks are built of isometric tensors, i.e. tensors satisfying $W^\dagger W = \mathrm{I}$. Prominent examples include matrix product states (MPS) in canonical form, the multiscale entanglement renormalization ansatz (MERA), and quantum circuits in general, such as those needed in state preparation and quantum variational eigensolvers. We show how gradient-based optimization methods on Riemannian manifolds can be used to optimize tensor networks of isometries to represent e.g. ground states of 1D quantum Hamiltonians. We discuss the geometry of Grassmann and Stiefel manifolds, the Riemannian manifolds of isometric tensors, and review how state-of-the-art optimization methods like nonlinear conjugate gradient and quasi-Newton algorithms can be implemented in this context. We apply these methods in the context of infinite MPS and MERA, and show benchmark results in which they outperform the best previously-known optimization methods, which are tailor-made for those specific variational classes. We also provide open-source implementations of our algorithms.

  50 citations

• Finite-temperature symmetric tensor network for spin-1/2 Heisenberg antiferromagnets on the square lattice

  Didier Poilblanc, Matthieu Mambrini, Fabien Alet

  SciPost Phys. 10, 019 (2021) · published 28 January 2021 | Toggle abstract · pdf

  Within the tensor network framework, the (positive) thermal density operator can be approximated by a double layer of infinite Projected Entangled Pair Operator (iPEPO) coupled via ancilla degrees of freedom. To investigate the thermal properties of the spin-1/2 Heisenberg model on the square lattice, we introduce a family of fully spin-$SU(2)$ and lattice-$C_{4v}$ symmetric on-site tensors (of bond dimensions $D=4$ or $D=7$) and a plaquette-based Trotter-Suzuki decomposition of the imaginary-time evolution operator. A variational optimization is performed on the plaquettes, using a full (for $D=4$) or simple (for $D=7$) environment obtained from the single-site Corner Transfer Matrix Renormalization Group fixed point. The method is benchmarked by a comparison to quantum Monte Carlo in the thermodynamic limit. Although the iPEPO spin correlation length starts to deviate from the exact exponential growth for inverse-temperature $\beta \gtrsim 2$, the behavior of various observables turns out to be quite accurate once plotted w.r.t the inverse correlation length. We also find that a direct $T=0$ variational energy optimization provides results in full agreement with the $\beta\rightarrow\infty$ limit of finite-temperature data, hence validating the imaginary-time evolution procedure. Extension of the method to frustrated models is described and preliminary results are shown.

  16 citations

• Investigation of the Néel phase of the frustrated Heisenberg antiferromagnet by differentiable symmetric tensor networks

  Juraj Hasik, Didier Poilblanc, Federico Becca

  SciPost Phys. 10, 012 (2021) · published 20 January 2021 | Toggle abstract · pdf

  The recent progress in the optimization of two-dimensional tensor networks [H.-J. Liao, J.-G. Liu, L. Wang, and T. Xiang, Phys. Rev. X 9, 031041 (2019)] based on automatic differentiation opened the way towards precise and fast optimization of such states and, in particular, infinite projected entangled-pair states (iPEPS) that constitute a generic-purpose Ansatz for lattice problems governed by local Hamiltonians. In this work, we perform an extensive study of a paradigmatic model of frustrated magnetism, the J 1 − J 2 Heisenberg an- tiferromagnet on the square lattice. By using advances in both optimization and subsequent data analysis, through finite correlation-length scaling, we re- port accurate estimations of the magnetization curve in the Néel phase for J 2 /J 1 ≤ 0.45. The unrestricted iPEPS simulations reveal an U (1) symmetric structure, which we identify and impose on tensors, resulting in a clean and consistent picture of antiferromagnetic order vanishing at the phase transition with a quantum paramagnet at J 2 /J 1 ≈ 0.46(1). The present methodology can be extended beyond this model to study generic order-to-disorder transitions in magnetic systems.

  49 citations