Related papers: Efficient implementation of the Gutzwiller variati…
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…
We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and…
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…
We review the recently proposed extension of the Gutzwiller approximation, M. Schiro' and M. Fabrizio, Phys. Rev. Lett. 105, 076401 (2010), designed to describe the out-of-equilibrium time-evolution of a Gutzwiller-type variational wave…
We have generalized the Gutzwiller method to the cases of n=>2 correlated bands and report studies on a degenerate two-band model with Hund's rule type on-site interactions. At half band filling the metal-insulator transitions are usually…
Gutzwiller functions are popular variational wavefunctions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize e.g. the expectation value of the…
For fast and accurate calculations of band gaps of solids, we present an {\it ab initio} method that extends the density functional theory plus on-site Hubbard interaction (DFT+$U$) to include inter-site Hubbard interaction ($V$). This…
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 propose a quantum-classical hybrid scheme for implementing the nonunitary Gutzwiller factor using a discrete Hubbard-Stratonovich transformation, which allows us to express the Gutzwiller factor as a linear combination of unitary…
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…
Understanding the interplay between electronic correlations and band topology remains a central challenge in condensed matter physics, primarily hindered by a language mismatch problem. While band topology is naturally formulated within a…
The two-dimensional Hubbard model is studied using the variational quantum Monte Carlo technique with Gutzwiller-type variational wave functions. In addition to the simple one-site correlated Gutzwiller wave function, we use a form with…
Recently, Fukushima [Phys. Rev. B \textbf{78} 115105 (2008)] proposed a systematic derivation of the Gutzwiller approximation for the t-J model. In the present paper, using this approach we construct an effective single-particle…
A fast impurity solver for the dynamical mean field theory(DMFT) named Two Mode Approxi- mation (TMA) is proposed based on the Gutzwiller variational approach, which captures the main features of both the coherent and incoherent motion of…
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 implement the Gutzwiller wave function for attractive SU(3) fermion systems on a quantum computer using a quantum-classical hybrid scheme based on the discrete Hubbard-Stratonovich transformation. In this approach, the nonunitary…
In this work we analyze the variational problem emerging from the Gutzwiller approach to strongly correlated systems. This problem comprises the two main steps: evaluation and minimization of the ground state energy $W$ for the postulated…
We investigate the role of the bandwidth difference in the Mott metal-insulator transition of a two-band Hubbard model in the limit of infinite dimensions, by means of a Gutzwiller variational wave function as well as by dynamical…
Degenerate Hubbard models are studied using the Generalized-Gutzwiller-Approximation. It is found that the metal-insulator transition occurs at a finite correlation $U_c$ when the average number of electrons per lattice site is an integer.…
The Gutzwiller wave function for the three-band Hubbard model on a two dimensional CuO$_2$ plane is studied by using the variational Monte Carlo (VMC) method in the limit $U_d \to \infty$, where $U_d$ is the Coulomb repulsion between holes…