Related papers: Density Matrix Embedding Theory and Strongly Corre…
We elucidate the relationship between 2d integrable field theories and 2d integrable lattice models, in the framework of the 4d Chern-Simons theory. The 2d integrable field theory is realized by coupling the 4d theory to multiple 2d surface…
Lattice models are crucial for studying thermodynamic properties in many physical, biological and chemical systems. We investigate Lattice Restricted Primitive Model (LRPM) of electrolytes with different discretization parameters in order…
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-phonon interactions. Analyzing the single-particle excitation…
Density functional theory (DFT) has become the most popular approach to electronic structure across disciplines, especially in material and chemical sciences. Last year, at least 30,000 papers used DFT to make useful predictions or give…
I discuss recent developments in lattice QCD thermodynamics on the nature of the transition at finite temperature and density, equation of state, screening of static charges and meson spectral functions at high temperatures.
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
Lattice models are useful for understanding behaviors of interacting complex many-body systems. The lattice dimer model has been proposed to study the adsorption of diatomic molecules on a substrate. Here we analyze the partition function…
An alternative to Density Functional Theory are wavefunction based electronic structure calculations for solids. In order to perform them the Exponential Wall (EW) problem has to be resolved. It is caused by an exponential increase of the…
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…
Liquid crystal elastomers (LCEs) marry the large deformation response of a cross-linked polymer network with the nematic order of liquid crystals pendent to the network. Of particular interest is the actuation of LCE sheets where the…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
A main goal in lattice theory is the construction of dense lattices. Most of the remarkable dense lattices in small dimensions have an additional symmetry, they are modular, i.e. similar to their dual lattice. Extremal lattices are densest…
We derive a density matrix (DM) theory for quantum cascade lasers (QCLs) that describes the influence of scattering on coherences through a generalized scattering superoperator. The theory enables quantitative modeling of QCLs, including…
We construct a density functional for the lattice gas / Ising model on square and cubic lattices based on lattice fundamental measure theory. In order to treat the nearest-neighbor attractions between the lattice gas particles, the model is…
Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…
The study of entanglement in strongly correlated electron systems typically requires knowledge of the reduced density matrix. Here, we apply the parquet dynamical vertex approximation to study the two-site reduced density matrix at varying…
Lattice structures have great potential for several application fields ranging from medical and tissue engineering to aeronautical one. Their development is further speeded up by the continuing advances in additive manufacturing…
Developments in QCD at finite density are reviewed. I begin by discussing some new algorithms which have been applied to other theories with sign problems. Then I discuss the method of analytic continuation in QCD using a series expansion…
The site and bond percolation problems are conventionally studied on (hyper)cubic lattices, which afford straightforward numerical treatments. The recent implementation of efficient simulation algorithms for high-dimensional systems now…
We show that the two-dimensional density-matrix renormalization analysis is useful to detect the symmetry breaking in the fermionic model on a triangular lattice. Under the cylindrical boundary conditions with chemical potentials on edge…