Related papers: Sub-cycle waveform synthesis for effective control…
Ab initio electronic structure methods give accurate results for small systems, but do not scale well to large systems. Chemical insight tells us that molecular functional groups will behave approximately the same way in all molecules,…
In this paper we use a unidirectional decomposition capable of furnishing localized wave pulses, with luminal and superluminal peak velocities, in exact form and totally free of backward components, which have been a chronic problem for…
We demonstrate a method which can hyperpolarize both the electron and nuclear spins of 31P donors in Si at low field, where both would be essentially unpolarized in equilibrium. It is based on the selective ionization of donors in a…
This paper concerns the theory of non-recollisional ionization or detachment of atoms or ions by intense few-cycle pulses. It is shown that in certain conditions of pulse duration, peak intensity and carrier-envelope phase, the ionization…
We present a theory for a mesoscopic turnstile that produces spatially separated streams of electrons and holes along edge states in the quantum Hall regime. For a broad range of frequencies in the non-adiabatic regime the turnstile…
We propose a system-oriented basis-set design based on even-tempered basis functions to variationally encode electronic ground-state information into molecular orbitals. First, we introduce a reduced formalism of concentric even-tempered…
We outline a scheme to accomplish measurements of a solid state double well system (DWS) with both one and two electrons in non-localised bases. We show that, for a single particle, measuring the local charge distribution at the midpoint of…
We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…
By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…
We investigate theoretically a scheme for spectroscopy of electrons emitted by an on-demand single particle source. The total system, with an electron turnstile source and a single level quantum dot spectrometer, is implemented with edge…
We propose a spin-selective coherent electron transfer in a silicon-quantum-dot array. Oscillating magnetic fields and temporally controlled gate voltages are utilised to separate the electron wave function into different quantum dots…
We present a systematic, quasi-automated methodology for generating electronic models in the framework of second-principles density functional theory (SPDFT). This approach enables the construction of accurate and computationally efficient…
We present an efficient method for modeling the single and double ionization dynamics of the H$_2$ molecule in ultrashort intense laser fields. This method is based on a semi-analytical approach to calculate the time-dependent single and…
As a genuine many-body entanglement, spin squeezing (SS) can be used to realize the highly precise measurement beyond the limit constrained by classical physics. Its generation has attracted much attention recently. It was reported that $N$…
Potential energy surfaces of electron dynamics (ePES) are constructed from a model of localized electron wave packets (eWP) with non-orthogonal valence-bond (VB) spin coupling and applied to quantum dynamics simulations of high harmonic…
A new method for efficiently generating an isolated single-cycle attosecond pulse is proposed. It is shown that the ultraviolet (UV) attosecond pulse can be utilized as a robust tool to control the dynamics of electron wave packets (EWPs).…
In this paper, we develop new fast and efficient algorithms for designing single/multiple unimodular waveforms/codes with good auto- and cross-correlation or weighted correlation properties, which are highly desired in radar and…
It is shown for two electron atoms that ground-state wavefunctions of the form \begin{equation} \Psi(\vec{r_{1}}, \vec{r_{2}})=\phi(\vec{r_{1}})\phi(\vec{r_{2}})(\cosh ar_{1}+\cosh ar_{2})(1+0.5 r_{12}e^{-b r_{12}}) \end{equation} where…
We discuss the low energy electronic states in hexagonal rings. These states correspond to the transverse modes in core-shell nanowires built of III-V semiconductors which typically have a hexagonal cross section. In the case of symmetric…
We rigorously calculate the propagation and scattering of electromagnetic waves by rectangular and random arrays of dielectric cylinders in a uniform medium. For regular arrays, the band structures are computed and complete bandgaps are…