Related papers: Gutzwiller variational wave function for multi-orb…
Within a Lagrangian formalism we derive the time-dependent Gutzwiller approximation for general multi-band Hubbard models. Our approach explicitly incorporates the coupling between time-dependent variational parameters and a time-dependent…
We use the Gutzwiller variational theory to calculate the ground-state phase diagram and quasi-particle bands of LaOFeAs. The Fe3d--As4p Wannier-orbital basis obtained from density-functional theory defines the band part of our eight-band…
The multi-band Gutzwiller method, combined with calculations based on density functional theory, is employed to study total energy curves of the ferromagnetic ground state of Ni. A new method is presented which allows flow of charge between…
In this work we study the two-orbital Hubbard model on a square lattice in the presence of hybridization between nearest-neighbor orbitals and a crystal-field splitting. We use a highly reliable numerical technique based on the density…
We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches…
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 Gutzwiller approximate solution to the Gutzwiller wavefunction yields exact results for the Gutzwiller wavefunction in the infinite dimensional limit. Implicit in the Gutzwiller approximation is an approximate local form of the fermion…
The Gutzwiller variational wave function is shown to correspond to a particular disentanglement of the thermal evolution operator, and to be physically consistent only in the temperature range U<<kT<<E_F, the Fermi energy of the…
Strongly correlated materials feature multiple electronic orbitals which are crucial to accurately understand their many-body properties, from cuprate materials to twisted bilayer graphene. In such multi-band models, quantum interference…
We find the Gutzwiller projected Fermi sea wave function(GWF) has the correct phase structure to describe the kink nature of the doped holes in the ground state of the one dimensional $t-J$ model. We find the failure of the GWF for general…
Recently, diagrammatic extensions of dynamical mean field theory (DMFT) have been proposed for including short- and long-range correlations beyond DMFT on an equal footing. We employ one of these, the dynamical vertex approximation…
We explore the magnetic properties of a two-dimensional Hubbard model on an inhomogeneous square lattice, which provides a platform for tuning the bandwidth of the flat band. In its limit, this inhomogeneous square lattice turns into a Lieb…
Ferromagnetism in the single-orbital Hubbard model, which contains only local Coulomb repulsion and no explicit ferromagnetic exchange interactions, has been extensively studied. However, how the associated fluctuations influence the…
We study the deformation of a Fermi surface (FS) near charge-ordering (CO) transition. By applying a fluctuation-exchange approximation to the two-dimensional extended Hubbard model, we show that the FS is largely modified by strong charge…
Ground state properties of the repulsive Hubbard model on a cubic lattice are investigated by means of the auxiliary-field quantum Monte Carlo method. We focus on low-density systems with varying on-site interaction $U/t$, as a model…
The three-band Emery model is applied to study the selected principal features of the $d$-$wave$ superconducting phase in the copper-based compounds. The electron-electron correlations are taken into account by the use of the diagrammatic…
A polymer expansion is given for the Quantum Heisenberg Ferromagnet wave function. Working on a finite lattice, one is dealing entirely with algebraic identities; there is no question of convergence. The conjecture to be pursued in further…
The recently proposed diagrammatic expansion (DE) technique for the full Gutzwiller wave function (GWF) is applied to the Anderson lattice model (ALM). This approach allows for a systematic evaluation of the expectation values with GWF in…
We use the Gutzwiller variational many-body theory to investigate the stability of orbitally ordered states in a two-band Hubbard-model without spin degrees of freedom. Our results differ significantly from earlier Hartree-Fock calculations…
We construct a variational wave function to study whether a fully polarized Fermi sea is energetically stable against a single spin flip. Our variational wave function contains sufficient short-range correlation at least to the same level…