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We present a new density-matrix functional within the recently introduced framework for tensor-product expansions of the two-particle density matrix. It performs well both for the homogeneous electron gas as well as atoms. For the…

Materials Science · Physics 2009-11-07 Gábor Csányi , Stefan Goedecker , T. A. Arias

We consider the Cauchy problem for the 1D generalized Schr\"odinger equation on the whole axis. To solve it, any order finite element in space and the Crank-Nicolson in time method with the discrete transparent boundary conditions (TBCs)…

Numerical Analysis · Mathematics 2026-01-05 A. Zlotnik , I. Zlotnik

Power moments, modified moments, and optimized moments are powerful tools for solving microscopic models of macroscopic systems; however the expansion of the density of states as a continued fraction does not converge to the macroscopic…

Materials Science · Physics 2009-11-11 Roger Haydock , C. M. M. Nex

Matrix Product State (MPS) wavefunctions have many applications in quantum information and condensed matter physics. One application is to represent states in the thermodynamic limit directly, using a small set of position independent…

Statistical Mechanics · Physics 2010-08-30 L. Michel , I. P. McCulloch

We present an expansion of a many-body correlation function in a sum of pseudomodes -- exponents with complex frequencies that encompass both decay and oscillations. The pseudomode expansion emerges in the framework of the Heisenberg…

Strongly Correlated Electrons · Physics 2025-05-26 Alexander Teretenkov , Filipp Uskov , Oleg Lychkovskiy

Finite-Hamiltonian impurity solvers provide direct real-frequency spectra and a natural route to enlarged impurity Hamiltonians, but their applicability is limited by the rapid Hilbert-space growth with the number of bath or other added…

Strongly Correlated Electrons · Physics 2026-05-11 Jeongmoo Lee , Ara Go

Spectral methods provide an elegant and efficient way of numerically solving differential equations of all kinds. For smooth problems, truncation error for spectral methods vanishes exponentially in the infinity norm and $L_2$-norm.…

Numerical Analysis · Computer Science 2019-10-09 Joanna Piotrowska , Jonah M. Miller , Erik Schnetter

Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression method. This method enables efficient compression of all…

Quantum Physics · Physics 2024-09-02 Rong-Yang Sun , Tomonori Shirakawa , Seiji Yunoki

Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard Density Functional Theory approaches. However, DFTB models…

We present the continued fraction method (CFM) as a new microscopic approximation to the spectral density of the Hubbard model in the correlated metal phase away from half filling. The quantity expanded as a continued fraction is the single…

Strongly Correlated Electrons · Physics 2009-11-11 R. Hayn , P. Lombardo , K. Matho

We here present how a self-consistent solution of the dynamical mean field theory equations can be obtained using exact diagonalization of an Anderson impurity model with accuracies comparable to those found using renormalization group or…

Strongly Correlated Electrons · Physics 2014-08-06 Y. Lu , M. Höppner , O. Gunnarsson , M. W. Haverkort

We introduce an extended formulation of the non-Markovian stochastic Schr\"odinger equation with complex frequency modes (extended cNMSSE), designed for simulating open quantum system dynamics under arbitrary spectral densities. This…

Quantum Physics · Physics 2025-09-10 Yukai Guo , Zeyu Huang , Xing Gao

We carry Chebyshev-polynomial expansion of the inverse localization length of Hermitian and non-Hermitian random chains as function of energy. For Hermitian models, the expansion produces numerically this energy-dependent function in one…

Disordered Systems and Neural Networks · Physics 2016-12-21 Naomichi Hatano , Joshua Feinberg

We show the feasibility of tensor network solutions for lattice gauge theories in Hamiltonian formulation by applying matrix product states algorithms to the Schwinger model with zero and non-vanishing fermion mass. We introduce new…

High Energy Physics - Lattice · Physics 2013-12-10 M. C. Bañuls , K. Cichy , K. Jansen , J. I. Cirac

The diagramatic Monte Carlo method has so far been primarily used in connection with the weak coupling expansion. Here we show that the strong coupling expansion offers a significant advantage: it can be efficiently implemented on both the…

Strongly Correlated Electrons · Physics 2023-11-17 Kristjan Haule

In this paper we present a methodology for increasing the accuracy and accelerating the convergence of numerical methods for solution of Maxwell's equations in the frequency domain by taking into account the be-havior of the electromagnetic…

Computational Physics · Physics 2021-06-30 Igor Semenikhin

In a previous work (N. H. Tong, Phys. Rev. B 92, 165126 (2015)), an equation-of-motion based series expansion formalism was used to do the second-order strong-coupling expansion for the single-particle Green function of the Anderson…

Strongly Correlated Electrons · Physics 2022-02-09 Kou-Han Ma , Ning-Hua Tong

Generating accurate and stable long rollouts is a notorious challenge for time-dependent PDEs (Partial Differential Equations). Recently, motivated by the importance of high-frequency accuracy, a refiner model called PDERefiner utilizes…

Computational Engineering, Finance, and Science · Computer Science 2025-06-16 Li Luo

We introduce a model with diffusive and evaporation/condensation processes, depending on 3 parameters obeying some inequalities. The model can be solved in the sense that all correlation functions can be computed exactly without the use of…

Statistical Mechanics · Physics 2023-10-23 F. Mathieu , E. Ragoucy

In this work we introduce a modified real-time continuous-time hybridization-expansion quantum Monte Carlo solver for a time-dependent single-orbital Anderson impurity model: CT-1/2-HYB-QMC. In the proposed method the diagrammatic expansion…

Strongly Correlated Electrons · Physics 2019-08-07 Patryk Kubiczek , Alexey N. Rubtsov , Alexander I. Lichtenstein