Related papers: Analyticity of the density of electronic wavefunct…
The charge density and pair correlation function of three interacting electrons confined within a two-dimensional disc-like hard wall quantum dot are calculated by full numerical diagonalization of the Hamiltonian. The formation of a…
The electronic properties of nanoscale quantum dots are reviewed. The similarities and differences between these `artificial atoms' and real atoms are discussed and, in particular, the effect of electron correlations is examined. It is…
Exact conditions have long been used to guide the construction of density functional approximations. But hundreds of empirical-based approximations tailored for chemistry are in use, many of which neglect these conditions in their design.…
The effective mass approximation is widely used across models of carrier transport, optical response, and excitons in semiconductors and insulators, but its validity hinges on the assumption that the band dispersion $E_n(\mathbf{k})$ at the…
Recent photoabsorption measurements have revealed a rich fine structure in the collective charge-density excitation spectrum of few-electron quantum dots in the presence of magnetic fields. We have performed systematic computational studies…
The non-monotonic behavior of the electron repulsion energy and the interelectronic distance, as a function of the internuclear separation, in the $^{3}\Pi_{u}$ excited state of the hydrogen molecule has been assessed by explicitly…
New theoretical and experimental investigation of the occupied and unoccupied local electronic density of states (DOS) are reported for alpha-Li3N. Band structure and density functional theory calculations confirm the absence of covalent…
We develop a direct derivation for the primary contribution to the vibrational polarizability for molecules, clusters and other finite systems. The vibrational polarizability is then calculated within the generalized gradient approximation…
We consider the motion of a nonrelativistic electron in the field of two strong monochromatic light waves propagating counter to each other. The wave function of the electron is obtained by using a quasiclassical approximation and…
We survey a few classes of analytic functions on the disk that have real boundary values almost everywhere on the unit circle. We explore some of their properties, various decompositions, and some connections these functions make to…
The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
We revisit the analytical properties of the static quasi-photon polarizability function for an electron gas at finite temperature, in connection with the existence of Friedel oscillations in the potential created by an impurity. In contrast…
We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…
A calculation of the classical analogue for the quantum wave function and local denity of states, in energy representation, is presented for simple Hamiltonian systems. Sucha analogous were proposed by M. V. Berry and A. voros considering…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
We consider the problem of electron transport across a quasi-one-dimensional disordered multiply-scattering medium, and study the statistical properties of the electron density inside the system. In the physical setup that we contemplate,…
A comparison between an analytical calculation of the polarizability of a mesoscopic interacting system in the random phase approximation and numerical exact diagonalization results is presented. While for weak interactions the analytical…
Three dimensional implementations of liquid state theories offer an efficient alternative to computer simulations for the atomic-level description of aqueous solutions in complex environments. In this context, we present a (classical)…
We have studied the three-particle decay of 12C, 9Be and 6Be resonances. These nuclei have been described as three-body systems by means of the complex scaled hyperspherical adiabatic expansion method. The short-distance part of the…