Related papers: Quantum-Information Measure of Electron Localizati…

Ultrafast electron delocalization induced by a fs laser pulse is a well-known process and is the initial step for important applications such as fragmentation of molecules or laser ablation in solids. It is well understood that an intense…

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

The ground state electron density -- obtainable using Kohn-Sham Density Functional Theory (KS-DFT) simulations -- contains a wealth of material information, making its prediction via machine learning (ML) models attractive. However, the…

Quantum-state engineering, i.e., active manipulation over the coherent dynamics of suitable quantum-mechanical systems, has become a fascinating prospect of modern physics. Here we discuss the dynamics of two interacting electrons in a…

Various representation learning methods for molecular structures have been devised to accelerate data-driven chemistry. However, the representation capabilities of existing methods are essentially limited to atom-level information, which is…

A simple method of variational calculations of the electronic structure of a two-electron atom/ion, primarily near the nucleus, is proposed. The method as a whole consists of a standard solution of a generalized matrix eigenvalue equation,…

We have recently developed a position-dependent quantization scheme for describing the ladder and effective photon-number operators associated with the electric field to analyze quantum optical energy transfer in lossy and dispersive…

Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density functional theory (DFT) calculations. However, there has been…

We investigate the electron localization in double concentric quantum rings (DCQRs) when a perpendicular magnetic field is applied. In weakly coupled DCQRs, the situation can occur when the single electron energy levels associated with…

An analytic approach to the electron transport phenomena in molecular devices is presented. Analyzed devices are composed of organic molecules attached to the two semi-infinite electrodes. Molecular system is described within the…

We study numerically stabilization against ionization of a fully correlated two-electron model atom in an intense laser pulse. We concentrate on two frequency regimes: very high frequency, where the photon energy exceeds both, the…

We present an approach for reconstructing the distribution of electronic internal quantum pressure in the electronic continuum of solids from the experimental electron density. Using the formalism of the density functional theory, we obtain…

Electrons and ions trapped with electromagnetic fields have long served as important high-precision metrological instruments, and more recently have also been proposed as a platform for quantum information processing. Here we point out that…

The localization properties of electron states in the quantum Hall regime are reviewed. The random Landau model, the random matrix model, the tight-binding Peierls model, and the network model of Chalker and Coddington are introduced.…

We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron…

A field-theoretic formulation of a planar Hall-electron system with edges is presented and some fundamental aspects of the integer quantum Hall effect are studied with emphasis on clarifying general symmetry-based consequences of…

We theoretically investigate correlated electron-hole states in vertically coupled quantum dots. Employing a prototypical double-dot confinement and a configuration-interaction description for the electron-hole states, it is shown that the…

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

We show that confinement of bulk electrons can be observed at low-dimensional surface structures and can serve as a long-range sensor for the magnetism and electronic properties of single impurities or as a quantum information transfer…

This paper considers a theoretical model of the double-slit experiment with electrons whose paths are monitored. This monitoring, inspired by a recent text by Maudlin, is performed by the Coulomb scattering of the electron by a proton. A…