Local density approximation combined with Gutzwiller method for correlated electron systems: Formalism and applications

Local Density Approximation Method for Correlated Metals

While the Local Density Approximation LDA+U method is well established for Mott insualtors with well localized orbitals, its application to weakly correlated metals is questionable. By extending the Stoner approach to LDA+U, we show that LDA+U enhances the Stoner factor, while reducing the density of states. The most important correlation effects in metals, fluctuation induced mass renormalizat...

Generalized Local Density Approximation Uniform Electron Gases . II . The Generalized Local Density Approximation in One Dimension

We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius rs and a two-electron hole curvature parameter η at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, is is also exact for finite uniform electron gas...

Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems

In this work, we illustrate the recently introduced concept of the cavity Born-Oppenheimer approximation [ Flick et al. PNAS 2017 , 10.1073/pnas.1615509114 ] for correlated electron-nuclear-photon problems in detail. We demonstrate how an expansion in terms of conditional electronic and photon-nuclear wave functions accurately describes eigenstates of strongly correlated light-matter systems. F...

Open Quantum Systems: Density Matrix Formalism and Applications

Spectral Functions of Correlated Electron Systems in the Local Impurity Self Consistent Approximation

We describe the evolution of the spectral density as we dope a Mott insulator within a dynamical mean field method. After giving an intuitive description of this Local Impurity Self-Consistent Approximation (LISA) for a model with several orbitals per unit cell, we illustrate its implementation in the context of the Hubbard model in infinite dimensions. For this purpose a new iterative perturba...