Related papers: Reduced density-matrix functionals applied to the …
The increasing interest in the Mueller density-matrix-functional theory has led us to a systematic mathematical investigation of its properties. This functional is similar to the Hartree-Fock functional, but with a modified exchange term in…
We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…
We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…
The antiferromagnetic ground state of the half-filled Hubbard model with the doubly degenerate orbital has been studied by using the slave-boson mean-field theory which was previously proposed by the present author. Numerical calculations…
We study a three-dimensional Anderson-Hubbard model under the coexistence of short-range interaction and diagonal disorder within the Hartree-Fock approximation. We show that the density of states at the Fermi energy is suppressed in the…
In the limit of infinite spatial dimensions a thermodynamically consistent theory, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built for the Hubbard model when the total auxiliary single-site problem…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…
We present analytic results for ground-state properties of Hubbard-type models in terms of the Gutzwiller variational wave function with non-zero values of the magnetization m. In dimension D=1 approximation-free evaluations are made…
A variational ground state of the repulsive Hubbard model on a square lattice is investigated numerically for an intermediate coupling strength (U = 8t) and for moderate sizes (from 6 x 6 to 10 x 10). Our ansatz is clearly superior to other…
The strong coupling diagram technique is used for investigating states near the metal-insulator transition in the half-filled two-dimensional repulsive Hubbard model. The nonlocal third-order term is included in the irreducible part along…
A density functional theory for many-body lattice models is considered in which the single-particle density matrix is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy…
We show that Csanyi's and Arias' energy functional of the reduced one-particle density matrix is bounded from below by the M\"uller functional and bounded from above by the Hartree-Fock functional. We use this fact to derive an asymptotic…
Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $\epsilon_{i}$ have a bimodal probability distribution and an energy separation…
We study the magnetic field driven metal-to-insulator transition in half-filled Hubbard model on the Bethe lattice, using the dynamical mean-field theory by solving the quantum impurity problem with density-matrix renormalization group…
We investigate the antiferromagnetically ordered state in the half-filled Hubbard model on the Socolar dodecagonal tiling. When the interaction is introduced, the staggered magnetizations suddenly appear, which results from the existence of…
The low--energy excited states of a system of interacting one--dimensional fermions in a conducting state are collective charge and spin density oscillations. The unusual physical properties of such a system (called ``Luttinger liquid'')…
We study $N$ interacting massless Dirac fermions confined in a two-dimensional quantum dot. Physical realizations of this problem include a graphene monolayer and the surface state of a strong topological insulator. We consider both a…
In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the…