Related papers: Extending Density Matrix Embedding: A Static Two-P…
We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…
Density functional theory is the standard theory for computing the electronic structure of materials, which is based on a functional that maps the electron density to the energy. However, a rigorous form of the functional is not known and…
Recent SO(3)-equivariant models embedded a molecule as a set of single atoms fixed in the three-dimensional space, which is analogous to a ball-and-stick view. This perspective provides a concise view of atom arrangements, however, the…
We review recently introduced numerical methods for the unbiased detection of the order parameter and/or dominant correlations, in many-body interacting systems, by using reduced density matrices. Most of the paper is devoted to the…
We study the charge-density dynamics within the two-dimensional extended Hubbard model in the presence of long-range Coulomb interaction across the metal-insulator transition point. To take into account strong correlations we start from…
We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the…
The eigenstate thermalization hypothesis (ETH) is the leading interpretation in our current understanding of quantum thermalization. Recent results uncovered strong connections between quantum correlations in thermalizing systems and the…
The eigenstate thermalization hypothesis (ETH) provides a powerful framework for understanding thermalization in isolated quantum many-body systems, yet a complete and conceptually transparent derivation has remained elusive. In this work,…
If we prepare an isolated, interacting quantum system in an eigenstate and perturb a local observable at an initial time, its expectation value will relax towards a thermal expectation value, even though the time evolution of the system is…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
The Matrix-Element Method (MEM) has long been a cornerstone of data analysis in high-energy physics. It leverages theoretical knowledge of parton-level processes and symmetries to evaluate the likelihood of observed events. In parallel, the…
Understanding the evolution towards thermal equilibrium of an isolated quantum system is at the foundation of statistical mechanics and a subject of interest in such diverse areas as cold atom physics or the quantum mechanics of black…
An exactly solvable strongly correlated electron model with two independent parameters is constructed in the frame of the quantum inverse scattering method, which can be seen as a generalization of the Bariev model. Through the Bethe ansatz…
A simple, general and practically exact method, Entanglement Perturbation Theory (EPT), is formulated to calculate the ground states of 2D macroscopic quantum systems with translational symmetry. An emphasis will be placed on the…
Quantum embedding theories are powerful tools for approximately solving large-scale strongly correlated quantum many-body problems. The main idea of quantum embedding is to glue together a highly accurate quantum theory at the local scale…
Quantum embedding theories are playing an increasingly important role in bridging different levels of approximation to the many body Schr\"odinger equation in physics, chemistry and materials science. In this paper, we present a linear…
Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent developments in SOET [Senjean et al., Phys. Rev. B 97, 235105…
We develop Entanglement Perturbation Theory (EPT) for infinite Quasi-1D quantum systems. The spin 1/2 Heisenberg chain with ferromagnetic nearest neighbor (NN) and antiferromagnetic next nearest neighbor (NNN) interactions with an…
The pair-coupled-cluster doubles (pCCD) method has emerged as a viable approach for quantum-chemical studies of strongly correlated systems. Despite its lower formal scaling (O(N$^4$)) compared to other versions of coupled cluster (CC)…
Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…