Related papers: Extended Recursion in Operator Space (EROS), a new…

We consider the symmetric single-impurity Anderson model in the presence of pairing fluctuations. In the isotropic limit, the degrees of freedom of the local impurity are separated into hybridizing and non-hybridizing modes. The self-energy…

This paper proposes a novel higher-order multi-scale (HOMS) computational method, which is highly targeted for efficient, high-accuracy and low-computational-cost simulation of hygro-thermo-mechanical (H-T-M) coupling problems in…

Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory…

Hamiltonian operator inference has been developed in [Sharma, H., Wang, Z., Kramer, B., Physica D: Nonlinear Phenomena, 431, p.133122, 2022] to learn structure-preserving reduced-order models (ROMs) for Hamiltonian systems. The method…

We improve on the Thomas-Fermi approximation for the single-particle density of fermions by introducing inhomogeneity corrections. Rather than invoking a gradient expansion, we relate the density to the unitary evolution operator for the…

The single impurity Anderson model (SIAM) is studied within an enhanced non-crossing approximation (ENCA). This method is extended to the calculation of susceptibilities and thoroughly tested, also in order to prepare applications as a…

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations, in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov…

Efficient differential equation solvers have significantly reduced the sampling time of diffusion models (DMs) while retaining high sampling quality. Among these solvers, exponential integrators (EI) have gained prominence by demonstrating…

To understand the intricate exchange between electrons of different bands in strongly correlated materials, it is essential to treat multi-orbital models accurately. For this purpose, dynamical mean-field theory (DMFT) provides an…

Site-occupation embedding theory (SOET) is an alternative formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting…

This paper presents an a priori error analysis of the Deep Mixed Residual method (MIM) for solving high-order elliptic equations with non-homogeneous boundary conditions, including Dirichlet, Neumann, and Robin conditions. We examine MIM…

We develop a Reduced Order Model (ROM) for a Large Eddy Simulation (LES) approach that combines a three-step algorithm called Evolve-Filter-Relax (EFR) with a computationally efficient finite volume method. The main novelty of our ROM lies…

We review a systematic many-body method capable of describing Fermi liquid and Non-Fermi liquid behavior of quantum impurity models at low temperatures on the same footing. The crossover to the high temperature local moment regime is…

A new non-perturbative framework for many-body correlated systems is formulated by extending the operator projection method (OPM). This method offers a systematic expansion which enables us to project into the low-energy structure after…

Though denoising diffusion probabilistic models (DDPMs) have achieved remarkable generation results, the low sampling efficiency of DDPMs still limits further applications. Since DDPMs can be formulated as diffusion ordinary differential…

We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…

We introduce a strictly single-site DMRG algorithm based on the subspace expansion of the Alternating Minimal Energy (AMEn) method. The proposed new MPS basis enrichment method is sufficient to avoid local minima during the optimisation,…

Nonequilibrium dynamical mean-field theory (DMFT) solves correlated lattice models by obtaining their local correlation functions from an effective model consisting of a single impurity in a self-consistently determined bath. The recently…

We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…

In this work, we analyze in detail the occurrence of divergences in the irreducible vertex functions for one of the fundamental models of many-body physics: the Anderson impurity model (AIM). These divergences -- a surprising hallmark of…