Unrestricted Hartree-Fock for Quantum Dots

A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of total spin and angular momentum symmetries via Projection Techniques. Illustrative applications are presented for the case of a two-electron helium-like single quantum dot and a hydrogen-like quantum dot molecule.

We study the energy spectrum of the two-electron spherical parabolic quantum dot using the exact Schroedinger, the Hartree-Fock, and the Kohn-Sham equations. The results obtained by applying the shifted-1/N method are compared with those obtained by using an accurate numerical technique, showing that the relative error is reasonably small, although the first method consistently underestimates the correct values. The approximate ground-state Hartree-Fock and local-density Kohn...

We address low-density two-dimensional circular quantum dots with spin-restricted Kohn-Sham density functional theory. By using an exchange-correlation functional that encodes the effects of the strongly-correlated regime (and that becomes exact in the limit of infinite correlation), we are able to reproduce characteristic phenomena such as the formation of ring structures in the electronic total density, preserving the fundamental circular symmetry of the system. The observa...

We present analytic estimates for the energy levels of N electrons (N = 2 - 5) in a two-dimensional parabolic quantum dot. A magnetic field is applied perpendicularly to the confinement plane. The relevant scaled energy is shown to be a smooth function of the parameter \beta=(effective Rydberg/effective dot energy)^{1/6}. Two-point Pade approximants are obtained from the series expansions of the energy near the oscillator ($\beta\to 0$) and Wigner ($\beta\to\infty$) limits. T...

Using the method of breaking of circular symmetry and of subsequent symmetry restoration via projection techiques, we present calculations for the ground-state energies and excitation spectra of N-electron parabolic quantum dots in strong magnetic fields in the medium-size range 10 <= N <= 30. The physical picture suggested by our calculations is that of finite rotating electron molecules (REMs) comprising multiple rings, with the rings rotating independently of each other. A...

We present a detailed analysis of the broken-symmetry mean-field solutions using a four-electron rectangular quantum dot as a model system. Comparisons of the density-functional theory predictions with the exact ones show that the symmetry breaking results from the single-configuration wave function used in the mean-field approach. As a general cure we present a scheme that systematically incorporates several configurations into the density-functional theory and restores the ...

So far in the literature the terms "charged exciton" and "trion" are often confused with each other and mostly considered as the same. In this work we show this is not the case in 2D quantum dots with a parabolic confinement. By using the unrestricted Hartree-Fock method the energy and binding energy of both charged excitons and trions in 2D parabolic quantum dots are calculated in dependence on the confinements of charge carriers in quantum dot. It is shown that the binding ...

We discussed exact solutions of the Schroedinger equation for a two-dimensional parabolic confinement potential in a homogeneous external magnetic field. It turns out that the two-electron system is exactly solvable in the sense, that the problem can be reduced to numerically solving one radial Schroedinger equation. For a denumerably infinite set of values of the effective oscillator frequency $\tilde{\omega}=\sqrt{\omega_0^2+(\omega_c/2)^2}$ (where $\omega_0$ is the frequen...

Measurements and a theoretical interpretation of the excitation spectrum of a two-electron quantum dot fabricated on a parabolic Ga[Al]As quantum well are reported. Experimentally, excited states are found beyond the well-known lowest singlet- and triplet states. These states can be reproduced in an exact diagonalization calculation of a parabolic dot with moderate in-plane anisotropy. The calculated spectra are in reasonable quantitative agreement with the measurement, and s...

We have performed Hartree-Fock calculations of electronic structure of N \le 10 electrons in a quantum dot modeled with a confining Gaussian potential well. We discuss the conditions for the stability of N bound electrons in the system. We show that the most relevant parameter determining the number of bound electrons is $V_0 R^2$. Such a property arises from widely valid scaling properties of the con ning potential. Gaussian Quantum dots having N = 2, 5 and 8 electrons are p...