Related papers: Numerical minimisation of Gutzwiller energy functi…
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…
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…
A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the…
This work addresses a central challenge in the numerical analysis of the cutoff spatially homogeneous Boltzmann equation: the development of rigorously justified, accurate numerical schemes. We present (i) a novel Fourier spectral method…
We define Landau quasi-particles within the Gutzwiller variational theory, and derive their dispersion relation for general multi-band Hubbard models in the limit of large spatial dimensions D. Thereby we reproduce our previous calculations…
We apply two ab initio many-body methods based on Gutzwiller wave functions, i.e., correlation matrix renormalization theory (CMRT) and Gutzwiller conjugate gradient minimization (GCGM), to the study of crystalline phases of atomic…
A new variational method is developed to calculate the ground state energy of Fermi systems with strong short-range correlations. A trial wave function of Gutzwiller's type contains additional variational parameters corresponding to…
We develop a causal optimization method that ensures causality in numerical calculations of Green's functions in interacting electron systems. Our method removes noncausality of numerical data by finding causal functions closest to the…
An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical…
The Gatenby-Gawlinski model for cancer invasion is object of analysis in order to investigate the mathematical framework behind the model working by means of suitable reductions. We perform numerical simulations to study the…
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 work we investigate the Wigner localization of two interacting electrons at very low density in two and three dimensions using the exact diagonalization of the many-body Hamiltonian. We use our recently developed method based on…
Energy efficient communication technology has attracted much attention due to the explosive growth of energy consumption in current wireless communication systems. In this letter we focus on fairness-based energy efficiency and aim to…
In a recent work we have proposed an original analytic expression for the partition function of the quartic oscillator. This partition function, which has a simple and compact form with {\it no adjustable parameters}, reproduces some key…
Within the framework of the quark model and the variational method, the bound states of four heavy quarks (tetraquarks) are investigated. The basis variational wave functions are chosen in the Gaussian form. The matrix elements of the…
We investigate the orbital selective Mott transition in two-band Hubbard models by means of the Gutzwiller variational theory. In particular, we study the influence of a finite local hybridisation between electrons in different orbitals on…
In this work we study the Wigner functions, which are the quantum analogues of the classical phase space density, and show how a full rigorous semiclassical scheme for all orders of \hbar can be constructed for them without referring to the…
We extend our exact reformulation of the bosonic many-body problem in terms of a stochastic Hartree ansatz to a stochastic Gutzwiller ansatz for the Bose Hubbard model. This makes the corresponding Monte Carlo method more efficient for…
In this paper we discuss energy conservation issues related to the numerical solution of the nonlinear wave equation. As is well known, this problem can be cast as a Hamiltonian system that may be autonomous or not, depending on the…
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…