Related papers: Density Functional Theory of Multicomponent Quantu…
A time-dependent current-density-functional theory for many-particle systems in interaction with arbitrary external baths is developed. We prove that, given the initial quantum state $|\Psi_0>$ and the particle-bath interaction operator,…
A Kohn-Sham density-functional energy expression is derived for any (ground or excited) state within a given many-electron ensemble along with the stationarity condition it fulfills with respect to the ensemble density, thus giving access…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
The one-- and two-- particle densities of up to four interacting electrons with spin, confined within a quasi one--dimensional ``quantum dot'' are calculated by numerical diagonalization. The transition from a dense homogeneous charge…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
This note describes five subjects of some interest for the density functional theory in nuclear physics. These are, respectively, i) the need for concave functionals, ii) the nature of the Kohn-Sham potential for the radial density theory,…
Exact-diagonalization calculations for N=3 electrons in anisotropic quantum dots, covering a broad range of confinement anisotropies and strength of inter-electron repulsion, are presented for zero and low magnetic fields. The excitation…
We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…
We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…
Atomic-like systems in which electronic motion is two dimensional are now realizable as ``quantum dots''. In place of the attraction of a nucleus there is a confining potential, usually assumed to be quadratic. Additionally, a perpendicular…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
It was recently argued that in small quantum dots the electrons could crystallize at much higher densities than in the infinite two-dimensional electron gas. We compare predictions that the onset of spin polarization and the formation of…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. In a GaAs quantum wire, a critical density has been found, below which the electron density has a strong spatial inhomogeneity.…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged…
The quantum interference effect among coupled identical quantum dots is studied in the present paper in the limit of strong intra-dot Coulomb interaction. When the average electron number in each dot is a fraction of an integer, quantum…
A quantum kinetic theory is used to compute excitation induced dephasing in semiconductor quantum dots due to the Coulomb interaction with a continuum of states, such as a quantum well or a wetting layer. It is shown that a frequency…
In a quantum dot with dozens of electrons, an approximation beyond Tamm-Dankoff is used to construct the quantum states with an additional electron-hole pair, i.e. the "excitonic" states. The lowest states mimic the non-interacting…