Topological quantum chemistry (TQC) is a successful framework for identifying noninteracting topological materials, based on the symmetry analysis of the Bloch Hamiltonian and on reference states known as atomic limits. However, TQC grinds to a halt once interactions are included. Here, the authors put forward a framework analogous to TQC, but employing $n$-particle Green's function techniques to indicate topology in interacting systems. Fundamentally, they define a class of interacting reference states that generalize the notion of atomic limits, which they call Mott atomic limits. The reference states are symmetry protected topological states.
Topological quantum chemistry (TQC) is a successful framework for identifying noninteracting topological materials, based on the symmetry analysis of the Bloch Hamiltonian and on reference states known as atomic limits. However, TQC grinds to a halt once interactions are included. Here, the authors put forward a framework analogous to TQC, but employing n-particle Green's function techniques to indicate topology in interacting systems. Fundamentally, they define a class of interacting reference states that generalize the notion of atomic limits, which they call Mott atomic limits. The reference states are symmetry protected topological states.
The recently introduced topological quantum chemistry (TQC) framework has provided a description of universal topological properties of all possible band insulators in all space groups based on crystalline unitary symmetries and time reversal. While this formalism filled the gap between the mathematical classification and the practical diagnosis of topological materials, an obvious limitation is that it only applies to weakly interacting systems, which can be described within band theory. It is an open question to which extent this formalism can be generalized to correlated systems that can exhibit symmetry-protected topological phases which are not adiabatically connected to any band insulator. In this work, we address the many facets of this question by considering the specific example of an extended version of a Hubbard diamond chain. This model features a Mott insulator, a trivial insulating phase, and an obstructed atomic limit phase. Here we first discuss the nature of the Mott insulator and determine the phase diagram and topology of the interacting model with infinite density matrix renormalization group calculations, variational Monte Carlo simulations, and with many-body topological invariants. We then proceed by considering a generalization of the TQC formalism to Green's functions combined with the concept of a topological Hamiltonian to identify the topological nature of the phases. Here we use cluster perturbation theory to calculate the Green's functions. The results are benchmarked with the above-determined phase diagram, and we discuss the applicability and limitations of the approach and its possible extensions in the diagnosis of topological phases in materials, in contrast to the use of many-body topological invariants.
This paper explores the potential of topological quantum computation (TQC) to revolutionize the simulation of complex chemical reactions. Traditional computational methods often struggle to accurately model the intricate interactions between atoms within these reactions. We propose a novel framework utilizing topological phases to represent these interactions, aiming for a more compact and efficient simulation model than existing approaches. The core claim is that TQC offers a pathway to significantly improve the fidelity and speed of simulating complex chemical processes, potentially enabling breakthroughs in drug discovery, materials science, and fundamental chemical understanding. The paper details the design and implementation of a TQC simulation platform, highlighting key challenges and preliminary results demonstrating the framework's potential for accurate modeling.
T HE CLASSIFICATION OF DISTINCT PHASES OF MATTER is a central theme in condensed matter physics. A phase of matter can be viewed as an equivalence class of physical states that share a certain set of properties. In the case of topological quantum matter, these properties are associated with topological invariants that take specific values for each equivalence class. Perturbing a gapped state that corresponds to a given topological phase (i.e., smoothly deforming the Hamiltonian of the system) does not affect the topological invariant, as long as the energy gap remains finite. The value of this invariant changes only if the system undergoes a quantum phase transition, which is signaled by the collapse of the gap. Full topological protection can only emerge in interacting systems and requires the presence of long-range entanglement, which is at the origin of intrinsic topological order. However, topological properties protected by symmetries emerge even in noninteracting systems and, perhaps surprisingly, can be described within the framework of good old band theory of solids. Systems belonging to this category are generically called topological insulators, after the class of materials that is largely responsible for the recent surge in research activity on topological matter. In addition, topological band theory considerations can also be applied to superconductors (and superfluids), as described at the mean-field level using Bogoliubov-de Gennes theory. This chapter summaries the key ideas behind the topological classification of noninteracting systems and discusses the basic properties of various classes of topological insulators and superconductors. For in-depth discussions and related developments the reader is referred to a number of books [48, 402, 153] and review papers [211, 212, 357, 22] specifically dedicated to this subject.
Topological phase transitions occur in real materials as well as quantum engineered systems, all of which differ greatly in terms of dimensionality, symmetries, interactions, and driving, and hence require a variety of techniques and concepts to describe their topological properties. For instance, topology may be accessed from single-particle Bloch wave functions, Green's functions, or many-body wave functions. We demonstrate that despite this diversity, all topological phase transitions display a universal feature: namely, a divergence of the curvature function that composes the topological invariant at the critical point. This feature can be exploited via a renormalization-group–like methodology to describe topological phase transitions. This approach serves to extend notions of correlation function, critical exponents, scaling laws and universality classes used in Landau theory to characterize topological phase transitions in a unified manner.
The classification of distinct phases of matter is a central theme in condensed matter physics. A phase of matter can be viewed as an equivalence class of physical states that share a certain set of properties. In the case of topological quantum matter, these properties are associated with topological invariants that take specific values for each equivalence class. Perturbing a gapped state that corresponds to a given topological phase (i.e., smoothly deforming the Hamiltonian of the system) does not affect the topological invariant, as long as the bulk energy gap remains finite. The value of this invariant changes only if the system undergoes a quantum phase transition, which is signaled by the collapse of the gap. Full topological protection can only emerge in interacting systems and requires the presence of long-range entanglement, which is at the origin of intrinsic topological order. However, topological properties protected by symmetries emerge even in noninteracting systems and, perhaps surprisingly, can be described within the framework of good old band theory of solids. Systems belonging to this category are generically called topological insulators, after the class of materials that is largely responsible for the recent surge in research on topological matter. In addition, topological band theory considerations can also be applied to superconductors (and superfluids), as described at the mean-field level using Bogoliubov–de Gennes theory. This chapter summarizes the key ideas behind the topological classification of noninteracting systems and discusses the basic properties of various classes of topological insulators and superconductors. For in-depth discussions and related developments the reader is referred to a number of books [ 54 , 175 , 469 ] and review papers [ 23 , 239 , 240 , 421 ] specifically dedicated to this subject.
The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained from momentum space. Recently, Real Space Invariants (RSIs) have provided a spatially local description of the global momentum space indices. The present work generalizes this real space classification to interacting 2D states. We construct many-body local RSIs as the quantum numbers of a set of symmetry operators on open boundaries, but which are independent of the choice of boundary. Using the U(1) particle number, they yield many-body fragile topological indices, which we use to identify which single-particle fragile states are many-body topological or trivial at weak coupling. To this end, we construct an exactly solvable Hamiltonian with single-particle fragile topology that is adiabatically connected to a trivial state through strong coupling. We then define global many-body RSIs on periodic boundary conditions. They reduce to Chern numbers in the band theory limit, but also identify strongly correlated stable topological phases with no single-particle counterpart. Finally, we show that the many-body local RSIs appear as quantized coefficients of Wen-Zee terms in the topological quantum field theory describing the phase.