Related papers: Spherical Density Functional Theory
A systematic strategy for the calculation of density functionals (DFs) consists in coding informations about the density and the energy into polynomials of the degrees of freedom of wave functions. DFs and Kohn-Sham potentials (KSPs) are…
The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem…
We present a new theory for partitioning simulations of periodic and solid-state systems into physically sound atomic contributions at the level of Kohn-Sham density functional theory. Our theory is based on spatially localized linear…
The equations determining the energy density $\rho$ of a gas of photons in thermodynamic equilibrium with a spherical mass $M$ at a non-zero temperature $T_s>0$ is derived from Einstein's equations. It is found that for large $r$, $\rho…
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
Some formulae are presented for finding two-integral distribution functions (DFs) which depends only on the two classical integrals of the energy and the magnitude of the angular momentum with respect to the axis of symmetry for stellar…
This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid to the spherically averaged case.
Using a central limit theorem for arrays of interacting quantum systems, we give analytical expressions for the density of states and the partition function at finite temperature of such a system, which are valid in the limit of infinite…
We reformulate the strong-interaction limit of electronic density functional theory in terms of a classical problem with a degenerate minimum. This allows us to clarify many aspects of this limit, and to write a general solution, which is…
Recent results of the Fayans energy density functional (EDF) for spherical nuclei are reviewed. A comparison is made with predictions of several Skyrme EDFs. The charge radii and characteristics of the first 2^+ excitations in semi-magic…
Variations in distinct restricted spaces of wave functions generate distinct density functionals. In particular, angular momentum projected Slater determinants define a new density functional, compatible simultaneously with angular momentum…
In this paper, we study the global existence, uniqueness and large-time behavior of spherically symmetric solution of a viscous radiative and reactive gas in an unbounded domain exterior to the unit sphere in $\mathbb{R}^{n}$ for $n\geq 2$.…
A family of potential--density pairs has been found for spherical halos and bulges of galaxies in the Newtonian limit of scalar--tensor theories of gravity. The scalar field is described by a Klein--Gordon equation with a source that is…
Approximate molecular calculations via standard Kohn-Sham Density Functional Theory are exactly reproduced by performing self-consistent calculations on isolated fragments via Partition Density Functional Theory [Phys. Rev. A 82, 024501…
We derive new relationships expressing solid spherical harmonics as series of toroidal harmonics and vice versa. The expansions include regular and irregular spherical harmonics, ring and axial toroidal harmonics of even and odd parity…
The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional of the electronic density and the Kohn-Sham orbitals. An alternative to Kohn-Sham theory is to express the energy as a functional of the…
The purpose of this review it to present a renewed perspective of the problem of self-gravitating elastic bodies under spherical symmetry. It is also a companion to the papers [Phys. Rev. D105, 044025 (2022)], [Phys. Rev. D106, L041502…
We demonstrate how the separation of the total energy of a self-bound system into a functional of the internal one-body Fermionic density and a function of an arbitrary wave vector describing the center-of-mass kinetic energy can be used to…
We present a brief review of the classical density functional theory of atomic and molecular fluids. We focus on the application of the theory to the determination of the solvation properties of arbitrary molecular solutes in arbitrary…