The Generalized Gutzwiller Method for n=>2 Correlated Orbitals: Itinerant Ferromagnetism in eg-bands

We investigate the electronic and superconducting properties of a negative-U Hubbard model. For this purpose we evaluate a recently introduced variational theory based on Gutzwiller-correlated BCS wave functions. We find significant differences between our approach and standard BCS theory, especially for the superconducting gap. For small values of $|U|$, we derive analytical expressions for the order parameter and the superconducting gap which we compare to exact results fro...

We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors which are taken into account by a Monte Carlo algorithm. In the 4x4 system our method is able to reproduce the exact results obtained by the diagonalization. An application is given to investigate the half-filled band case of two-dimensiona...

We introduce a new slave-boson mean-field theory which allows the investigation of general multi-band Hubbard models. Unlike earlier attempts of such a generalisation, in our approach the quantum-mechanical problem is exactly reformulated in an extended Hilbert space of Fermions and Bosons before a mean-field approximation is applied. Systems with superconducting order parameters are naturally included in our formalism. Our ground-state energy functional agrees with the corre...

Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The exact evaluation of these variational ground states in the limit of large coordination number allows the identification of quasi-particle band structures, and the calculation of a variational spinwave dispersion. The study of a generic two-band model elucidates the co-operation of the Coulomb repulsion...

We present the first rigorous example of the Hubbard model in any dimensions which exhibits metallic ferromagnetism. The model is a genuine Hubbard model with short-range hopping and on-site Coulomb repulsion, and has multi single-electron bands. In the limit where the band gap and the Coulomb repulsion become infinite, we prove that the ground states are completely ferromagnetic and at the same time conducting.

Whether spin-independent Coulomb interaction can be the origin of a realistic ferromagnetism in an itinerant electron system has been an open problem for a long time. Here we study a class of Hubbard models on decorated lattices, which have a special property that the corresponding single-electron Schr\"{o}dinger equation has $N_{\rm d}$-fold degenerate ground states. The degeneracy $N_{\rm d}$ is proportional to the total number of sites $\abs{\Lambda}$. We prove that the gr...

We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for all one particle operators. The solution of the many electron problem is mapped onto the self-consistent solution of a set of single particle Schroedinger equations analogous to standard DFT-LDA calculations.

Establishing the underlying links between the diverse landscape of theoretical frameworks for simulating strongly correlated matter is crucial for advancing our understanding of these systems. In this work, we focus on the Ghost Gutzwiller Approximation (gGA), an extension of the Gutzwiller Approximation (GA) based on the variational principle. We derive a framework called "Ghost Density Matrix Embedding Theory" (gDMET) from quantum embedding (QE) principles similar to those ...

The two-dimensional repulsive Hubbard model has been investigated by a variety of methods, from small to large U. Superconductivity with d-wave symmetry is consistently found close to half filling. After a brief review of the various methods a variational many-electron state is discussed in more detail. This trial state is a natural extension of the Gutzwiller ansatz and provides a substantial improvement thereof.

We present a detailed study of the time-dependent Gutzwiller approximation for the Hubbard model. The formalism, labelled GA+RPA, allows us to compute random-phase approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). No restrictions are imposed on the charge and spin configurations which makes the method suitable for the calculation of linear excitations around symmetry-broken solutions. Well-behaved sum rules are obeyed as in the Hartree-Fock (H...