Related papers: Extended Thomas-Fermi approximation to the one-bod…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…
Two of the most widely used electronic structure theory methods, namely Hartree-Fock and Kohn-Sham density functional theory, both requires the iterative solution of a set of Schr\"odinger-like equations. The speed of convergence of such…
In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…
A new method is presented to reconstruct the potential of a quantum mechanical many-body system from observational data, combining a nonparametric Bayesian approach with a Hartree-Fock approximation. A priori information is implemented as a…
We study the dynamics of a Fermi gas with a Coulomb interaction potential, and show that, in a mean-field limiting regime, the dynamics is described by the Hartree-Fock equation. This extends previous work of Bardos et al. to the case of…
The Lipkin-Nogami method is generalized to deal with finite range density dependent forces. New expressions are derived and realistic calculations with the Gogny force are performed for the nuclei $^{164}$Er and $^{168}$Er. The sharp phase…
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
An accurate non-gradient-expansion based correction to Thomas--Fermi is developed using solvable model. The used model is a system of $N$ non-interacting electrons moving independently in the Coulomb field of the nuclear charge. The…
We determine the energy density $\xi (3/5) n \epsilon_F$ and the gradient correction $\lambda \hbar^2(\nabla n)^2/(8m n)$ of the extended Thomas-Fermi (ETF) density functional, where $n$ is number density and $\epsilon_F$ is Fermi energy,…
A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…
We perform a systematic comparison between the results obtained by solving fully self-consistently the Hartree-Fock-Bogoliubov equations, and those obtained using the semi-classical Extended Thomas-Fermi method, for various Wigner-Seitz…
In the present work, we introduce a Self-Consistent Density-Functional Embedding technique, which leaves the realm of standard energy-functional approaches in Density Functional Theory and targets directly the density-to-potential mapping…
Two-dimensional abelian anyons are, in the magnetic gauge picture, represented as fermions coupled to magnetic flux tubes. For the ground state of such a system in a trapping potential, we theoretically and numerically investigate a Hartree…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
We generalize to N2LO Skyrme functionals the semi-classical approach of Grammaticos and Voros in order to calculate the Extended Thomas Fermi expressions of the new densities and currents appearing at the N2LO level. Within a one…
We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…
A new method is proposed for constructing energy density functionals, which include a nonlocal dependence on the density gradients. This method is used to construct functionals for kinetic energy, which is a nonlocal generalization of the…
The quantum dynamics away from equilibrium is of fundamental interest for interacting many-body systems. In this letter, we study tilted many-body systems using the effective Hamiltonian derived from the microscopic description. We first…
In many approximate approaches to fermionic quantum many-body systems, such as Hartree-Fock and density functional theory, solving a system of non-interacting fermions coupled to some effective potential is the computational bottleneck. In…
Approximations to the many-fermion free energy density functional that include the Thomas-Fermi (TF) form for the non-interacting part lead to singular densities for singular external potentials (e.g. attractive Coulomb). This limitation of…