Related papers: Electronic Correlations in Multielectron Silicon Q…
Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction makes this method…
We investigate the multielectron effects on high-harmonic generation from solid-state materials using the time-dependent Hartree-Fock theory. We find qualitative change in harmonic spectra, in particular, multiple-plateau formation at…
Donors in silicon are now demonstrated as one of the leading candidates for implementing qubits and quantum information processing. Single qubit operations, measurements and long coherence times are firmly established, but progress on…
Silicon is vital to the computing industry due to the high quality of its native oxide and well-established doping technologies. Isotopic purification has enabled quantum coherence times on the order of seconds, thereby placing silicon at…
The possibility to generate and manipulate non-classical light using the tools of mature semiconductor technology carries great promise for the implementation of quantum communication science. This is indeed one of the main driving forces…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
The magnetic properties of hole quantum dots in Ge are sensitive to their shape due to the interplay between strong spin-orbit coupling and confinement. We show that the split-off band, surrounding SiGe layers, and hole-hole interactions…
A quantum computer based on an asymmetric coupled dot system has been proposed and shown to operate as the controlled-NOT-gate. The basic idea is (1) the electron is localized in one of the asymmetric coupled dots. (2)The electron transfer…
We review our recent efforts in building atom-scale quantum-dot cellular automata circuits on a silicon surface. Our building block consists of silicon dangling bond on a H-Si(001) surface, which has been shown to act as a quantum dot.…
A theoretical study of single electron capacitance spectroscopy in quantum dots is presented. Exact diagonalizations and the unrestricted Hartree-Fock approximation have been used to shed light over some of the unresolved aspects. The…
We propose a new variety of silicon quantum dots containing fullerene-derived hollows of nearly arbitrary symmetry. Conglomerate structures are designed by connecting the quantum dots through two kinds of junctions. The quantum confinement…
We present here a review of the fundamental topics of Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and Hartree-Fock equations for…
We study the relation between quantum entanglement and electron correlation in quantum chemistry calculations. We prove that the Hartree-Fock (HF) wave function does not violate Bell's inequality, thus is not entangled while the…
We demonstrate that in semiconductor quantum dots wave functions probed by imaging techniques based on local tunneling spectroscopies like STM show characteristic signatures of electron-electron Coulomb correlation. We predict that such…
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…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
We present here a theory and a computational tool, Silicon-{\sc Qnano}, to describe atomic scale quantum dots in Silicon. The methodology is applied to model dangling bond quantum dots (DBQDs) created on a passivated H:Si-(100)-(2$\times$1)…
The energy spectrum and wave functions of electrons in a single silicon quantum dot provide valuable insights into the capabilities and limitations of such a system in quantum information processing. Here we investigate the low-lying…
Quantum dots in SiGe/Si/SiGe heterostructures host coherent electron spin qubits, which are promising for future quantum computers. The silicon quantum well hosts near-degenerate electron valley states, creating a low-lying excited state…
We theoretically investigate harmonic generation in graphene quantum dots under linearly polarized optical pulses, focusing on excitonic effects. Combining the tight-binding model and the single-particle density matrix approach, we derive a…