相关论文: Atomistic and continuum modeling of a zincblende q…
The simulation of charge transport in ultra-scaled electronic devices requires the knowledge of the atomic configuration and the associated potential. Such "atomistic" device simulation is most commonly handled using a tight-binding…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
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)…
In an ideal quantum measurement, the wave function of a quantum system collapses to an eigenstate of the measured observable, and the corresponding eigenvalue determines the measurement outcome. If the observable commutes with the system…
Quantum state tomography (QST) is the gold standard technique for obtaining an estimate for the state of small quantum systems in the laboratory. Its application to systems with more than a few constituents (e.g. particles) soon becomes…
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator through tensor factorizations, enabling efficient block-encodings…
Analytic and numerical results for quasiperiodic tight-binding models are reviewed, with emphasis on two and three-dimensional models which so far are beyond a mathematically rigorous treatment. In particular, we consider energy spectra of…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Effective mass equations are the simplest models of carrier states in a semiconductor structures that reduce the complexity of a solid-state system to Schr\"odinger- or Pauli-like equations resempling those well known from quantum mechanics…
Coulomb correlations in the optical spectra of semiconductor quantum dots are investigated using a full-diagonalization approach. The resulting multi-exciton spectra are discussed in terms of the symmetry of the involved states.…
We present a theoretical analysis of intraband optical transitions from the intermediate pseudo-band of confined states to the conduction band in a finite, inhomogeneous stack of self-assembled semiconductor quantum dots. The chain is…
The electronic structure of an infinite 1D array of vertically coupled InAs/GaAs strained quantum dots is calculated using an eight-band strain-dependent k-dot-p Hamiltonian. The coupled dots form a unique quantum wire structure in which…
We propose a cost-efficient measurement scheme of the variational quantum eigensolver (VQE) for atomistic simulations of electronic structures based on a tight-binding (TB) theory. Leveraging the lattice geometry of a material domain, the…
Reconstructing the state of a complex quantum system represents a pivotal task for all quantum information applications, both for characterization purposes and for verification of quantum protocols. Recent technological developments have…
The energy levels and optical transitions of tetrahedral core/shell InP/ZnSe quantum dots (QDs) are investigated by means of multi-band k$\cdot$p theory. Despite the $\overline{T}_d$ symmetry relaxing spherical selection rules, the…
Sample-based quantum diagonalization (SQD) constructs subspaces from computational-basis configurations obtained via measurements of a quantum state, with the goal of approximating low-energy eigenspaces of many-body Hamiltonians. The…
The number resolution of solid-state artificial atoms is of fundamental interest for the study of quantum few-body systems, yet remains experimentally challenging. Quantum optical experiments offer a non-invasive approach which links up…
Quantum dots are fabricated in a Ga[Al]As-heterostructure by local oxidation with an atomic force microscope. This technique, in combination with top gate voltages, allows us to generate steep walls at the confining edges and small lateral…
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics macroscopic physical properties in systems such as solids…
The many-body state of carriers confined in a quantum dot is controlled by the balance between their kinetic energy and their Coulomb correlation. In coupled quantum dots, both can be tuned by varying the inter-dot tunneling and…