Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1202.5839 · Physical Review Letters

Error Analysis of Free Probability Approximations to the Density of States of Disordered Systems

Jiahao Chen, Eric R. Hontz, Jeremy M. Moix, Matthew Welborn, Troy Van Voorhis, Alberto Suárez, Ramis Movassagh, Alan S. Edelman

Published Jul 17, 2012• 13 citations
arXivHTMLPDF

Abstract

Theoretical studies of localization, anomalous diffusion and ergodicity breaking require solving the electronic structure of disordered systems. We use free probability to approximate the ensemble-averaged density of states without exact diagonalization. We present an error analysis that quantifies the accuracy using a generalized moment expansion, allowing us to distinguish between different approximations. We identify an approximation that is accurate to the eighth moment across all noise strengths, and contrast this with perturbation theory and isotropic entanglement theory.

DOI
10.1103/physrevlett.109.036403

Related papers

Densities of states for disordered systems from free probability

Matthew Welborn, Jiahao Chen, Troy Van Voorhis

We investigate how free probability allows us to approximate the density of states in tight-binding models of disordered electronic systems. Extending our previous studies of the Anderson model in one dimension with nearest-neighbor interactions [Chen et al., Phys. Rev. Lett. 109, 036403 (2012)], we find that free probability continues to provide accurate approximations for systems with constant interactions on two- and three-dimensional lattices or with next-nearest-neighbor interactions, with the results being visually indistinguishable from the numerically exact solution. For systems with disordered interactions, we observe a small but visible degradation of the approximation. To explain this behavior of the free approximation, we develop and apply an asymptotic error analysis scheme to show that the approximation is accurate to the eighth moment in the density of states for systems with constant interactions, but is only accurate to sixth order for systems with disordered interactions. The error analysis also allows us to calculate asymptotic corrections to the density of states, allowing for systematically improvable approximations as well as insight into the sources of error without requiring a direct comparison to an exact solution.

arXiv:1305.3968•Physical Review B•Nov 12, 2013•5 citations

Density of states of quantum systems from free probability theory: a brief overview

Keun-Young Kim, Kuntal Pal

We provide a brief overview of approaches for calculating the density of states of quantum systems and random matrix Hamiltonians using the tools of free probability theory. For a given Hamiltonian of a quantum system or a generic random matrix Hamiltonian, which can be written as a sum of two non-commutating operators, one can obtain an expression for the density of states of the Hamiltonian from the known density of states of the two component operators by assuming that these operators are mutually free and by using the free additive convolution. In many examples of interacting quantum systems and random matrix models, this procedure is known to provide a reasonably accurate approximation to the exact numerical density of states. We review some of the examples that are known in the literature where this procedure works very well, and also discuss some of the limitations of this method in situations where the free probability approximation fails to provide a sufficiently accurate description of the exact density of states. Subsequently, we describe a perturbation scheme that can be developed from the subordination formulas for the Cauchy transform of the density of states and use it to obtain approximate analytical expressions for the density of states in various models, such as the Rosenzweig-Porter random matrix ensemble and the Anderson model with on-site disorder.

quant-pharXiv:2512.03850•Dec 4, 2025

Application of infinite order perturbation theory in linear systems. II. The frequency spectrum of disordered chains

Shiyu Wu

A formulation is presented such that the ensemble average of the diagonal elements of the Green's function for a one-dimensional disordered system can be calculated to arbitrary accuracy. The method is illustrated with an application to an isotopically disordered chain. An approximate solution to the frequency spectrum of a disordered binary chain is also discussed.

Journal of Mathematical Physics•Jul 1, 1974•19 citations

Characterising and approximating exact density functionals for model electronic systems

Michael Entwistle

Accurate descriptions of the electronic properties of molecules, solids and other materials are crucial in the development of many modern technologies, and are therefore the subject of much scientific research. In tandem with experimental research, computational simulations play a huge role. Density functional theory (DFT) is the most popular method for performing ground-state electronic structure calculations due to its accuracy in many situations along with its computational efficiency. Its time-dependent extension (TDDFT) allows the modelling of the dynamics of systems of interacting electrons. (TD)DFT is an exact theory in principle, but requires approximations in practice, specifically to the many-body effects of electron exchange and correlation (xc), which are described by some unknown universal functional. Despite much success, it often proves inadequate in many scenarios of increasing interest. Therefore, we aim to contribute to the development of improved approximate density functionals. \n \nIn this thesis, we take the approach of studying small model systems for which we can compute the exact functionals. These systems are designed to exhibit the key features present in realistic quantum systems, such as atoms and molecules, which the exact universal (TD)DFT functional is capable of describing, but are often ill-described by the commonly used approximations. By analysing the nature of these exact functionals, we gain valuable insight into their fundamental properties, together with identifying where the current approximations are lacking, thereby allowing us to suggest how these approximations may be improved.

•Jul 1, 2020•0 citations

Total correlations of the diagonal ensemble as a generic indicator for ergodicity breaking in quantum systems

Francesca Pietracaprina, Christian Gogolin, John Goold

The diagonal ensemble is the infinite time average of a quantum state following unitary dynamics in systems without degeneracies. In analogy to the time average of a classical phase-space dynamics, it is intimately related to the ergodic properties of the quantum system giving information on the spreading of the initial state in the eigenstates of the Hamiltonian. In this work we apply a concept from quantum information, known as total correlations, to the diagonal ensemble. Forming an upper bound on the multipartite entanglement, it quantifies the combination of both classical and quantum correlations in a mixed state. We generalize the total correlations of the diagonal ensemble to more general $\ensuremath{\alpha}$-Renyi entropies and focus on the cases $\ensuremath{\alpha}=1$ and $\ensuremath{\alpha}=2$ with further numerical extensions in mind. Here we show that the total correlations of the diagonal ensemble is a generic indicator of ergodicity breaking, displaying a subextensive behavior when the system is ergodic. We demonstrate this by investigating its scaling in a range of spin chain models focusing not only on the cases of integrability breaking but also emphasize its role in understanding the transition from an ergodic to a many-body localized phase in systems with disorder or quasiperiodicity.

arXiv:1611.02046•Physical review. B./Physical review. B•Mar 14, 2017•14 citations

Entanglement and density-functional theory: Testing approximations on Hooke’s atom

J. P. Coe, Anthony Sudbery, Irene D’Amico

We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial entanglement can be exactly calculated. We analyze how the strength of the confining potential affects the spatial entanglement and how accurately the methods that we introduced reproduce the exact trends. We also compare the results to the outcomes of standard first-order perturbation methods. The accuracies of energies and densities when using these methods are also considered.

arXiv:0712.3819•Physical Review B•May 22, 2008•98 citations
Theoretical studies of localization, anomalous diffusion and ergodicity breaking require solving the electronic structure of disordered systems. We use free probability to approximate the ensemble-averaged density of states without exact diagonalization. We present an error analysis that quantifies the accuracy using a generalized moment expansion, allowing us to distinguish between different approximations. We identify an approximation that is accurate to the eighth moment across all noise strengths, and contrast this with perturbation theory and isotropic entanglement theory.
We investigate how free probability allows us to approximate the density of states in tight-binding models of disordered electronic systems. Extending our previous studies of the Anderson model in one dimension with nearest-neighbor interactions [Chen et al., Phys. Rev. Lett. 109, 036403 (2012)], we find that free probability continues to provide accurate approximations for systems with constant interactions on two- and three-dimensional lattices or with next-nearest-neighbor interactions, with the results being visually indistinguishable from the numerically exact solution. For systems with disordered interactions, we observe a small but visible degradation of the approximation. To explain this behavior of the free approximation, we develop and apply an asymptotic error analysis scheme to show that the approximation is accurate to the eighth moment in the density of states for systems with constant interactions, but is only accurate to sixth order for systems with disordered interactions. The error analysis also allows us to calculate asymptotic corrections to the density of states, allowing for systematically improvable approximations as well as insight into the sources of error without requiring a direct comparison to an exact solution.
We provide a brief overview of approaches for calculating the density of states of quantum systems and random matrix Hamiltonians using the tools of free probability theory. For a given Hamiltonian of a quantum system or a generic random matrix Hamiltonian, which can be written as a sum of two non-commutating operators, one can obtain an expression for the density of states of the Hamiltonian from the known density of states of the two component operators by assuming that these operators are mutually free and by using the free additive convolution. In many examples of interacting quantum systems and random matrix models, this procedure is known to provide a reasonably accurate approximation to the exact numerical density of states. We review some of the examples that are known in the literature where this procedure works very well, and also discuss some of the limitations of this method in situations where the free probability approximation fails to provide a sufficiently accurate description of the exact density of states. Subsequently, we describe a perturbation scheme that can be developed from the subordination formulas for the Cauchy transform of the density of states and use it to obtain approximate analytical expressions for the density of states in various models, such as the Rosenzweig-Porter random matrix ensemble and the Anderson model with on-site disorder.
Accurate descriptions of the electronic properties of molecules, solids and other materials are crucial in the development of many modern technologies, and are therefore the subject of much scientific research. In tandem with experimental research, computational simulations play a huge role. Density functional theory (DFT) is the most popular method for performing ground-state electronic structure calculations due to its accuracy in many situations along with its computational efficiency. Its time-dependent extension (TDDFT) allows the modelling of the dynamics of systems of interacting electrons. (TD)DFT is an exact theory in principle, but requires approximations in practice, specifically to the many-body effects of electron exchange and correlation (xc), which are described by some unknown universal functional. Despite much success, it often proves inadequate in many scenarios of increasing interest. Therefore, we aim to contribute to the development of improved approximate density functionals. \n \nIn this thesis, we take the approach of studying small model systems for which we can compute the exact functionals. These systems are designed to exhibit the key features present in realistic quantum systems, such as atoms and molecules, which the exact universal (TD)DFT functional is capable of describing, but are often ill-described by the commonly used approximations. By analysing the nature of these exact functionals, we gain valuable insight into their fundamental properties, together with identifying where the current approximations are lacking, thereby allowing us to suggest how these approximations may be improved.
The diagonal ensemble is the infinite time average of a quantum state following unitary dynamics in systems without degeneracies. In analogy to the time average of a classical phase-space dynamics, it is intimately related to the ergodic properties of the quantum system giving information on the spreading of the initial state in the eigenstates of the Hamiltonian. In this work we apply a concept from quantum information, known as total correlations, to the diagonal ensemble. Forming an upper bound on the multipartite entanglement, it quantifies the combination of both classical and quantum correlations in a mixed state. We generalize the total correlations of the diagonal ensemble to more general $\ensuremath{\alpha}$-Renyi entropies and focus on the cases $\ensuremath{\alpha}=1$ and $\ensuremath{\alpha}=2$ with further numerical extensions in mind. Here we show that the total correlations of the diagonal ensemble is a generic indicator of ergodicity breaking, displaying a subextensive behavior when the system is ergodic. We demonstrate this by investigating its scaling in a range of spin chain models focusing not only on the cases of integrability breaking but also emphasize its role in understanding the transition from an ergodic to a many-body localized phase in systems with disorder or quasiperiodicity.
We present two methods of calculating the spatial entanglement of an interacting electron system within the framework of density-functional theory. These methods are tested on the model system of Hooke's atom for which the spatial entanglement can be exactly calculated. We analyze how the strength of the confining potential affects the spatial entanglement and how accurately the methods that we introduced reproduce the exact trends. We also compare the results to the outcomes of standard first-order perturbation methods. The accuracies of energies and densities when using these methods are also considered.