Related papers: Quantum information-based analysis of electron-def…
We obtain the conductance of a system of electrons connected to leads, within time-dependent density-functional theory, using a direct relation between the conductance and the density response function. Corrections to the non-interacting…
The characterization of quantum correlations is crucial to the development of new quantum technologies and to understand how dramatically quantum theory departs from classical physics. Here we systematically study single- and multiparticle…
Two- and three-body correlations in partially filled degenerate fermion shells are studied numerically for various interactions between the particles. Three distinct correlation regimes are defined, depending on the short-range behavior of…
We derive an electron-vibration model Hamiltonian in a quantum chemical framework, and explore the extent to which such a Hamiltonian can capture key effects of nonadiabatic dynamics. The model Hamiltonian is a simple two-body operator, and…
Like a silver thread, quantum entanglement [1] runs through the foundations and breakthrough applications of quantum information theory. It cannot arise from local operations and classical communication (LOCC) and therefore represents a…
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
We present an explanation for the puzzling spectral and transport properties of layered cobaltates close to the band-insulator limit, which relies on the key effect of charge ordering. Blocking a significant fraction of the lattice sites…
We review theoretical concepts and models for materials with strongly correlated d- or f electrons. We discuss low-energy effective models and the renormalized band method for Ce-based Kondo lattice systems. They are applied to the analysis…
Complementarity or wave-particle duality has been the basis of quantum mechanics over the last century. Since the Hanbury Brown and Twiss experiments in 1956, the particle nature of single photons has been intensively studied for various…
In this work we present a set of virial relations for many electron systems coupled to field modes, described by the Pauli--Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions…
The complete quantitative description of the structure of dense and supercooled liquids remains a notoriously difficult problem in statistical physics. Most studies to date focus solely on two-body structural correlations, and only a…
It is well known that many operations in quantum information processing depend largely on a special kind of quantum correlation, that is, entanglement. However, there are also quantum tasks that display the quantum advantage without…
This application paper investigates the stability of hydrogen bonds (H-bonds), as characterized by the Quantum Theory of Atoms in Molecules (QTAIM). First, we contribute a database of 4544 electron densities associated to four isomers of…
A two-band model of a disordered semiconductor is used to analyze dynamical interaction induced weakening of localization in a system that is accessible to experimental verification. The results show a dependence on the sign of the…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations…
Combining scattering matrix theory with non-linear $\sigma$-model and Keldysh technique we develop a unified theoretical approach enabling one to non-perturbatively study the effect of electron-electron interactions on weak localization and…
One of the most important questions in quantum information theory is the so-called separability problem. It involves characterizing the set of separable (or, equivalently entangled) states among mixed states of a multipartite quantum…
Heavy polar molecules offer a great sensitivity to the electron Electric Dipole Moment(EDM). To guide emerging searches for EDMs with molecular ions, we estimate the EDM-induced energy corrections for hydrogen halide ions $\mathrm{HBr}^{+}$…