Related papers: Gutzwiller variational wave function for multi-orb…
We study the correlation-induced deformation of Fermi surfaces by means of a new diagrammatic method which allows for the analytical evaluation of Gutzwiller wave functions in finite dimensions. In agreement with renormalization-group…
We give a comprehensive introduction into a diagrammatic method that allows for the evaluation of Gutzwiller wave functions in finite spatial dimensions. We discuss in detail some numerical schemes that turned out to be useful in 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…
We introduce Gutzwiller-correlated wave functions for the variational investigation of general multi-band Hubbard models. We set up a diagrammatic formalism which allows us to evaluate analytically ground-state properties in the limit of…
Using the generalized Gutzwiller method we present results on the ferromagnetic behavior of extended Hubbard models with two degenerate eg orbitals. We find significant differences to results obtained from Hartree-Fock theory.
In this tutorial presentation, we give a comprehensive introduction into the Gutzwiller variational approach and its merger with the density functional theory. The merits of this method are illustrated by a discussion of results for…
We show that the Gutzwiller variational wave function is surprisingly accurate for the computation of magnetic phase boundaries in the infinite dimensional Hubbard model. This allows us to substantially extend known phase diagrams. For both…
Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The approximate evaluation of these variational ground states…
We analyze the Mott transition in multi-band Hubbard models with the inclusion of multiplet exchange splittings as it arises in infinite dimensions by using the generalized Gutzwiller wave-function introduced by B\"unemann, Weber and…
We present a self-consistent numerical approach to solve the Gutzwiller variational problem for general multi-band models with arbitrary on-site interaction. The proposed method generalizes and improves the procedure derived by Deng et al.,…
Based on the variational Gutzwiller theory, we present a method for the computation of response functions for multiband Hubbard models with general local Coulomb interactions. The improvement over the conventional random-phase approximation…
We introduce Gutzwiller wave functions for multi-band models with general on-site Coulomb interactions. As these wave functions employ correlators for the exact atomic eigenstates they are exact both in the non-interacting and in the atomic…
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…
Ferromagnetic Nickel is the most celebrated iron group metal with pronounced discrepancies between the experimental electronic properties and predictions of density functional theories. In this work, we show in detail that the recently…
The minimum of the Gutzwiller energy functional depends on the number of parameters considered in the variational state. For a three-orbital Hubbard model we find that the frequently used diagonal Ansatz is very accurate in high-symmetry…
We formulate a multi-band generalisation of the time-dependent Gutzwiller theory. This approach allows for the calculation of general two-particle response functions, which are crucial for an understanding of various experiments in…
We give a comprehensive introduction into an efficient numerical scheme for the minimisation of Gutzwiller energy functionals in studies on multi-band Hubbard models. Our method covers all conceivable cases of Gutzwiller variational wave…
Divergencies appearing in perturbation expansions of interacting many-body systems can often be removed by expanding around a suitably chosen renormalized (instead of the non-interacting) Hamiltonian. We describe such a renormalized…
Magnetization process of the Gutzwiller wave function is studied accurately by a variational Monte Carlo method. We apply it to the one-dimensional (1D) and 2D Hubbard models (HM), and to the 1D periodic Anderson model (PAM) without orbital…
We propose a systematic approach to the systems of correlated electrons, the so-called $\mathbf{k}$-DE-GWF method, based on reciprocal-space ($\mathbf{k}$-resolved) diagrammatic expansion of the variational Gutzwiller-type wave function for…