We present an ab initio quantum theory of the metal-insulator transition in Ti2O3. The recently developed cluster LDA+DMFT scheme is applied to describe the many-body features of this compound. The conventional single site DMFT cannot reproduce a low temperature insulating phase for any reasonable values of the Coulomb interaction. We show that the nonlocal Coulomb interactions and the strong c...

Introduction: Despite advances in caries treatment, the disease still afflicts populations deprived of access to goods and services. Objective: To determine prevalence dental as well treatment needs for children aged five twelve years old from rural public schools Alfenas/MG. Material method: Cross-sectional descriptive observational study, carried out through an epidemiological survey, which d...

We present a pedagogical discussion of the the Hirsch-Fye and Continuous time Quantum Monte Carlo (QMC) algorithms which may be used to study a correlated cluster embedded in an uncorrelated host, or used to solve the cluster problem in dynamical mean field theory (DMFT) or its cluster extensions. The basic algorithms are discussed, together with methods for efficient measurments and the modifi...

Dynamical mean-field theory (DMFT) is a successful method to investigate interacting lattice fermions. In these lecture notes we present an introduction into the DMFT for lattice fermions with interaction, disorder and external inhomogeneous potentials. This formulation is applicable to electrons in solids and to cold fermionic atoms in optical lattices. We review here our investigations of the...

In the context of the dynamical mean-field theory (DMFT) of the Hubbard model, we study the behavior of the compressibility near the density driven Mott transition at finite temperatures. We demonstrate this divergence using DMFT and quantum Monte Carlo simulations in the one-band and the two-band Hubbard model. We supplement this result with considerations based on the Landau theory framework,...

The spectral properties of La1−xSrxTiO3, a doped Mott insulator with strong Coulomb correlations, are calculated with the ab initio computational scheme LDA+DMFT(QMC). It starts from the non-interacting electronic band structure as calculated by the local density approximation (LDA), and introduces the missing correlations by the dynamical mean-field theory (DMFT), using numerically exact quant...

The exceptional properties of strongly correlated electron systems have fascinated physicists for several decades already [1–9]. New correlated electron materials and unexpected correlation phenomena are discovered every year. Often the properties of those systems are influenced by disorder. Unfortunately, real materials and even model systems with strong electronic correlations and disorder ar...

A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the “local density approximation” (LDA) and the dynamical mean field theory (DMFT) approaches. Using numerically exact QMC solution to the effective DMFTmulti-orbital quantum-impurity problem, a successful description...

background and purpose: dental caries or tooth decay is one of the most important health problems in human life. in addition, tooth decay is an infectious disease that affects all populations worldwide. the purpose of this study was to determine the decayed, missing and filled teeth (dmft) index among a representative sample of 8-12 years old school children in zahedan city, iran. materials and...