Related papers: Comparative study of the density matrix embedding …
The fields of entanglement theory and tensor networks have recently emerged as central tools for characterising quantum phases of matter. In this article, we determine the entanglement structure of ground states of gapped symmetric quantum…
We investigate the eigenstate thermalization hypothesis (ETH) in d+1 dimensional conformal field theories by studying reduced density matrices in energy eigenstates. We show that if local probes of high energy primary eigenstates satisfy…
Currently, the ASM-HEMT model, QPZD model and EPFL model are all based on the three-terminal potential as the core, and relate the electrical characteristics such as I-V and C-V to Vd, Vs and Vg, so as to accurately build the HEMT model…
The self-energy-functional approach proposed recently is applied to the single-band Hubbard model at half-filling to study the Mott-Hubbard metal-insulator transition within the most simple but non-trivial approximation. This leads to a…
We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We use a density matrix renormalization group method to study quantitatively the phase diagram of a one-dimensional extended Hubbard model at half-filling by investigating the correlation functions and structure factors. We confirm the…
The exact formulation of multi-configuration density-functional theory (DFT) is discussed in this work. As an alternative to range-separated methods, where electron correlation effects are split in the coordinate space, the combination of…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
Combination of deep learning and ab initio calculation has shown great promise in revolutionizing future scientific research, but how to design neural network models incorporating a priori knowledge and symmetry requirements is a key…
An exact analytical diagonalization is used to solve the two dimensional Extended Hubbard Model for system with finite size. We have considered an Extended Hubbard Model (EHM) including on-site and off-site interactions with interaction…
This paper introduces an approach for detecting differences in the first-order structures of spatial point patterns. The proposed approach leverages the kernel mean embedding in a novel way by introducing its approximate version tailored to…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
Mean-field theories have proven to be efficient tools for exploring diverse phases of matter, complementing alternative methods that are more precise but also more computationally demanding. Conventional mean-field theories often fall short…
A unified formulation of the density functional theory is constructed on the foundations of entropic inference in both the classical and the quantum regimes. The theory is introduced as an application of entropic inference for inhomogeneous…
Most available theories for correlated electron transport are based on the Hubbard Hamiltonian. In this effective theory, renormalized hopping and interaction parameters only implicitly incorporate the coupling of correlated charge carriers…
Most realistic calculations of moderately correlated materials begin with a ground-state density functional theory (DFT) calculation. While Kohn-Sham DFT is used in about 40,000 scientific papers each year, the fundamental underpinnings are…
We study spectral properties of quantum many-body Hamiltonians through a subsystem-based framework. Given a Hamiltonian of the form $H = \sum_{X \subseteq \Lambda} \Phi(X)$ acting on a tensor product Hilbert space, we associate to each…
The Eigenstate Thermalization Hypothesis (ETH) has played a major role in understanding thermodynamic phenomena in closed quantum systems. However, its connection to the timescale of thermalization for open system dynamics has remained…
We present an embedding approach based on localized basis functions which permits an efficient application of the dynamical mean field theory (DMFT) to inhomogeneous correlated materials, such as semi-infinite surfaces and heterostructures.…