Related papers: Structure and static response of small silver clus…
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually performed by computing variations of orbitals, which involve…
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The computed electronic structures of various nano-clusters reveal…
We study integrable models for electrons in metals when the single particle spectrum is discrete. The electron-electron interactions are BCS-like pairing, Coulomb repulsion, and spin exchange coupling. These couplings are, in general,…
The semilocal meta generalized gradient approximation (MGGA) for the exchange-correlation functional of Kohn-Sham (KS) density functional theory can yield accurate ground-state energies simultaneously for atoms, molecules, surfaces, and…
Numerical investigation of the static spherically symmetric vacuum solution of the Logunov equations confirms the analytical results and demonstrates a strong repulsion at sub-Planckian distance from the Schwarzschild-like singularity,…
Earlier tests show that the Tao-Perdew-Staroverov-Scuseria (TPSS) nonempirical meta-generalized gradient approximation (meta-GGA) for the exchange-correlation energy yields more accurate surface energies than the local spin density (LSD)…
It has recently been demonstrated that asymptotically flat neutral reflecting stars are characterized by an intriguing no-hair property. In particular, it has been proved that these {\it horizonless} compact objects cannot support spatially…
The structural and bonding properties of small neutral alkali-halide clusters (AX)n, with n less than or equal to 10, A=Li, Na, K, Rb and X=F, Cl, Br, I, are studied using the ab initio Perturbed Ion (aiPI) model and a restricted structural…
In the framework of spherical geometry for jellium and local spin density approximation, we have obtained the equilibrium $r_s$ values, $\bar{r}_s(N,\zeta)$, of neutral and singly ionized "generic" $N$-electron clusters for their various…
We study theoretically large metal clusters containing vacancies. We propose an approach, which combines the Kohn-Sham results for monovacancy in a bulk of metal and analytical expansions in small parameters $c_{v}$ (relative concentration…
We report a general macroscopic theory for the electrodynamic response of semi-infinite metals (SIMs). The theory includes the hitherto overlooked capacitive effects due to the finite spatial extension of a surface. The basic structure of…
In this work we examine the stability of some classes of integrals, and in particular with respect to homogenization. The prototypical case is the homogenization of quadratic energies with periodic coefficients perturbed by a term vanishing…
We examine in detail the theoretical underpinnings of previous successful applications of local molecular field (LMF) theory to charged systems. LMF theory generally accounts for the averaged effects of long-ranged components of the…
The set of all possible spherically symmetric magnetic static Einstein-Yang-Mills field equations for an arbitrary compact semi-simple gauge group $G$ was classified in two previous papers. Local analytic solutions near the center and a…
The quantum states of a system of particles in a finite spatial domain in general consist of a set of discrete energy eigenvalues; these are usually grouped into bunches of degenerate or close-lying levels, called shells. In fermionic…
Using the extended discrete interaction model we investigate the tuneabilty of surface plasmon resonance in alloys and core-shell nanoparticles made from silver and gold. We show that the surface plasmon resonance of these alloys and…
Kohn-Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn-Sham Hamiltonian generally results in a large number of basis functions…
We develop a path-integral formalism to study the formation of large-scale structures in the universe. Starting from the equations of motion of hydrodynamics (single-stream approximation) we derive the action which describes the statistical…
We present the scalar field effective potential for nonrelativistic self-interacting scalar and fermion fields coupled to an Abelian Chern-Simons gauge field. Fermions are non-minimally coupled to the gauge field via a Pauli interaction.…
We present a comprehensive density functional theory (DFT) study of Mo-doped silver clusters Ag$_n$Mo ($n=1$-14), focusing on their structural, electronic, and bonding properties. Global optimization reveals an evolution from planar and…