Related papers: Quantum-Information Measure of Electron Localizati…
We discuss the possibility of localizing an electron in a highly excited Rydberg state. The second-order correlation of emitted photons is the tool for the determination of electron position. This second-order correlation of emitted…
In [arXiv:2207.03377] the first closed formula of a faithful entanglement measure applicable to realistic electron systems has been derived. In the present work, we build on this key achievement with the ultimate goal of guiding the…
The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…
The theory of the insulating state discriminates between insulators and metals by means of a localization tensor, which is finite in insulators and divergent in metals. In absence of time-reversal symmetry, this same tensor acquires an…
We show here the existence of the indirect coupling of electron and magnetic or nuclear ion spins in self-assembled quantum dots mediated by electron-electron interactions. With a single localized spin placed in the center of the dot, only…
Accurate cross section data for electron impact ionization (EII) are needed in order to interpret the spectra of collisionally ionized plasmas both in astrophysics and in the laboratory. Models and spectroscopic diagnostics of such plasmas…
Quantum entanglement is a concept commonly used with reference to the existence of certain correlations in quantum systems that have no classical interpretation. It is a useful resource to enhance the mutual information of memory channels…
The questions of whether a photon can be localized in an arbitrarily small volume and what is the allowable strength of that localization (the decrease with distance of the functional form) are questions of current interest. We propose a…
Electronic coherences are key to understanding and controlling photo-induced molecular transformations. We identify a crucial quantum-mechanical feature of electron-nuclear correlation, the projected nuclear quantum momenta, essential to…
Molecular density functional theory is a powerful technique for efficiently computing the spatially and orientationally dependent equilibrium density of a molecular solvent around an arbitrary solute. This density encodes the detailed…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
Control over electron-spin states, such as coherent manipulation, filtering and measurement promises access to new technologies in conventional as well as in quantum computation and quantum communication. In this paper, we review recent…
The quantum Coulomb glass model describes disordered interacting electrons on the insulating side of a metal-insulator transition. By taking quantum fluctuations into account it can describe not only the localized limit but also the weakly…
Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…
The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture, and is central to modern electronic structure theory. It also underpins the computation…
Addressing the feasibilty of quantum communication with electrons we consider entangled spin states of electrons in a double-dot which is weakly coupled to in--and outgoing leads. We show that the entanglement of two electrons in the…
Complex and correlated quantum systems with promise for new functionality often involve entwined electronic degrees of freedom. In such materials, highly unusual properties emerge and could be the result of electron localization. Here, a…
The bonding pattern of a covalent semiconductor is disrupted when a surface is cut while keeping a rigid (truncated bulk) geometry. The covalent bonds are partly reformed (with a sizeable energy gain) when reconstruction is allowed. We show…
Quantum entanglement of identical particles is essential in quantum information theory. Yet, its correct determination remains an open issue hindering the general understanding and exploitation of many-particle systems. Operator-based…
Background: An electron localization function was originally introduced to visualize bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules and solids. In nuclear physics, a nucleon…