Related papers: Two-Particle Tight-Binding Description of Higher-H…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
Strong-field quantum electronics is emerging as a potential candidate in information processing but still coherence vs decoherence is a primary concern of the concept. Strong-field coherent processes in band gap materials have led during…
Recently, the size-dependence of high-order harmonic generation (HHG) in quantum dots has been investigated experimentally. In particular, for longer driving wavelengths and QDs smaller than 3\,nm, HHG was strongly suppressed, however,…
We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…
Justification of tight-binding model from Schroedinger formalism for various topologies of position-based semiconductor qubits is presented in this work. Simplistic tight-binding model allows for description of single-electron devices at…
Second harmonic generation by spherical nanoparticles is a non-local optical process that can also be viewed as the result of the non-linear response of the thin interface layer. The classical electrodynamic description, based e.g. on the…
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…
The high-order harmonic generation in finite topological nanoribbons is investigated using a tight-binding description. The ribbons consist of hexagons and are almost one-dimensional. Two edge states emerge at the short edges of the ribbon…
The interaction within a hybrid system consisting of a spherical metal nanoparticle and a nearby organic dye molecule is formulated in a combined quantum-classical approach. Whereas the nanoparticle's polarization field is treated in…
We present a new theoretical approach to the study of second and third harmonic generation from metallic nanostructures and nanocavities filled with a nonlinear material, in the ultrashort pulse regime. We model the metal as a two-component…
A theory for laser-driven electron dynamics and high-harmonic generation in bulk solids with two lattice sites per unit cell of arbitrary dimension is formulated. In tight-binding approximation, such solids can be described by $2\times 2$…
This Letter brings together two topics that, until now, have been the focus of intense but non-overlapping research efforts. The first concerns high harmonic generation in solids, which occurs when intense light field excites highly…
High-harmonic generation has emerged as a pivotal process in strong-field physics, yielding extreme ultraviolet radiation and attosecond pulses with a wide range of applications. Furthermore, its emergent connection with the field of…
We explore the collective electromagnetic response in atomic clusters of various sizes and geometries. Our aim is to understand, and hence to control, their dielectric response, based on a fully quantum-mechanical description which captures…
The wave function and binding energy for shallow donors in GaAs are calculated within the tight binding (TB) approach, for supercells containing up to two million atoms. The resulting solutions, coupled with a scaling law, allow…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
We develop a generalized framework based on a Green's function formalism to calculate the efficiency of multiexciton gen-eration in nanocrystal quantum dots. The direct/indirect absorption and coherent/incoherent impact ionization…
We study theoretically the optical properties of quantum tubes, one-dimensional semiconductor nanostructures where electrons and holes are confined to a cylindrical shell. In these structures, which bridge between 2D and 1D systems, the…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk…