Unrestricted Hartree-Fock for Quantum Dots

Multi-electron semiconductor quantum dots have found wide application in qubits, where they enable readout and enhance polarizability. However, coherent control in such dots has typically been restricted to only the lowest two levels, and such control in the strongly interacting regime has not been realized. Here we report quantum control of eight different resonances in a silicon-based quantum dot. We use qubit readout to perform spectroscopy, revealing a dense set of energy...

Low-lying energy levels of two interacting electrons confined in a two-dimensional parabolic quantum dot in the presence of an external magnetic field have been revised within the frame of a novel model. The present formalism, which gives closed algebraic solutions for the specific values of magnetic field and spatial confinement length, enables us to see explicitly individual effects of the electron correlation.

The stretching of closed-shell molecules is a qualitative problem for restricted Hartree-Fock that is usually circumvented by the use of unrestricted Hartree-Fock (UHF). UHF is well known to break the spin symmetry at the Coulson-Fischer point, leading to a discontinuous derivative in the potential energy surface and incorrect spin density. However, this is generally not considered as a major drawback. In this work, we present a set of two electron molecules which magnify the...

The magnetic extension of the Thomas-Fermi-Weizs\"acker kinetic energy is used within density-functional-theory to numerically obtain the ground state densities and energies of two-dimensional quantum dots. The results are thoroughly compared with the microscopic Kohn-Sham ones in order to assess the validity of the semiclassical method. Circular as well as deformed systems are considered.

We show that the fundamental gaps of quantum dots can be accurately estimated at the computational effort of a standard ground-state calculation supplemented with a non self-consistent step of negligible cost, all performed within density-functional theory at the level of the local-density approximation.

Density-functional theory is used to study the electronic structure of quantum dots in a magnetic field. New series of magic numbers are found for the total angular momentum of electrons. The empirical formula for the plateau width is obtained. The effect of a charged impurity on the electronic structure of a quantum dot has been studied.

We model quasi-two-dimensional two-electron Quantum Dots in a parabolic confinement potential with rovibrational and purely vibrational effective Hamiltonian operators. These are optimized by non-linear least-square fits to the exact energy levels. We find, that the vibrational Hamiltonian describes the energy levels well and reveals how relative contributions change on varying the confinement strength. The rovibrational model suggests the formation of a rigid two-electron mo...

The unrestricted Pople-Nesbet approach for real atoms is adapted to quantum dots, the man-made artificial atoms, under applied magnetic field. Gaussian basis sets are used instead of the exact single-particle orbitals in the construction of the appropriated Slater determinants. Both system chemical potential and charging energy are calculated, as also the expected values for total and z-component in spin states. We have verified the validity of the energy shell structure as w...

We present a study of ground state energies and densities of quantum dots in a magnetic field, which takes into account correlation effects through the Current-density functional theory (CDFT). The method is first tested against exact results for the energy and density of 2 and 3 electrons quantum dots, and it is found to yield an accuracy better than $ 3 \%. $ Then we extend the study to larger dots and compare the results with available experimental data. The orbital and sp...

We describe OpenFCI, an open source implementation of the full configuration-interaction method (FCI) for two-dimensional quantum dots with optional use of effective renormalized interactions. The code is written in C++ and is available under the Gnu General Public License. The code and core libraries are well documented and structured in a way such that customizations and generalizations to other systems and numerical methods are easy tasks. As examples we provide a matrix e...