Related papers: Thomas-Fermi Theory
The extension of the density functional theory (DFT) to include pairing correlations without formal violation of the particle-number conservation condition is described. This version of the theory can be considered as a foundation of the…
In heavy atoms and molecules, on the distances $a \gg Z^{-1}$ from all of the nuclei (with a charge $Z_m$) we prove that $\rho_\Psi (x)$ is approximated in $L^p$-norm, by the Thomas-Fermi density.
A Thomas-Fermi model of a spherical shell of positive charge is investigated, under various boundary conditions. The electron distribution and the ionization charge are given particular attention.
This review is based on lectures given by the author at the Enrico Fermi Summer School in Varenna. It presents the basics of Density Functional Theory (DFT) for Fermi superfluids, with particular emphasis on nuclear systems. Special…
The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…
We prove that the Levy-Lieb density functional Gamma-converges to the Thomas-Fermi functional in the semiclassical mean-field limit. In particular, this aides an easy alternative proof of the validity of the atomic Thomas-Fermi theory which…
We consider a Thomas-Fermi mean-field model for large neutral atoms. That is, Schr\"odinger operators $H_Z^{\text{TF}}=-\Delta-\Phi_Z^{\text{TF}}$ in three-dimensional space, where $Z$ is the nuclear charge of the atom and…
The properties of warm symmetric and asymmetric nuclear matter are investigated in the frame of the Thomas-Fermi approximation using a recent modern parametrization of the effective nucleon-nucleon interaction of Myers and Swiatecki.…
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…
The fission process is a fascinating phenomenon in which the atomic nucleus, a compact self-bound mesoscopic system, undergoes a spontaneous or induced quantum transition into two or more fragments. A predictive, accurate and precise…
A Thomas-Fermi statistical analysis of Bader's interatomic surface developed in a previous work (L.Delle Site, Phys.Lett.A 286 61-64 (2001)) is here extended by considering exchange effects and electron density's inhomogeneity at basic…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
These lecture notes contain a brief practical introduction to doing density functional theory calculations for crystals using the open source Quantum Espresso software. The level is aimed at graduate students who are studying condensed…
Quantum defect theory is applied to (time-dependent) density-functional calculations of Rydberg series for closed shell atoms: He, Be, and Ne. The performance and behavior of such calculations is much better quantified and understood in…
Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural…
Density-functional theory is utilized to investigate the zero-temperature transition from a Fermi liquid to an inhomogeneous stripe, or Wigner crystal phase, predicted to occur in a one-component, spin-polarized, two-dimensional dipolar…
A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…
In this chapter, we describe three related studies of the universal physics of two-component unitary Fermi gases with resonant short-ranged interactions. First we discuss an ab initio auxiliary field quantum Monte Carlo technique for…
Quantum corrections to Thomas-Fermi (TF) theory are investigated for noninteracting one-dimensional fermions with known uniform semiclassical approximations to the density and kinetic energy. Their structure is analyzed, and contributions…
Elastic scattering probes directly the interaction potential. For weakly interacting condensates this potential is given by the condensate density. We investigate how the differential and total cross sections reflect the density. In…