Related papers: Bayesian approach to electron correlation in densi…
In this work we have studied a new functional for the correlation energy obtained from the exact-exchange (EXX) approximation within time-dependent density functional theory (TDDFT). Correlation energies have been calculated for a number of…
We explore theoretically how the coupling to cavity vacuum fields affects the electron transport in quantum conductors due to the counter-rotating-wave terms of light-matter interaction. We determine the quantum conductance in terms of the…
In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…
The microscopic theory of chemical reactions is based on transition state theory, where atoms or ions transfer classically over an energy barrier, as electrons maintain their ground state. Electron transfer is fundamentally different and…
The canonical commutation relation is a cornerstone of quantum theory and underlies the Heisenberg uncertainty principle. Although uncertainty relations have been extensively tested, direct verifications of the underlying commutation…
It is shown how the exchange interaction, the dipole-dipole interaction, and the Dzyaloshinsky-Moriya interaction between electronic spin-density fluctuations emerge naturally from a field-theoretic framework that couples electrons to the…
The influence of an electron-vibrational coupling on the laser control of electron transport through a molecular wire that is attached to several electronic leads is investigated. These molecular vibrational modes induce an effective…
The optical Faraday effect describes the rotation of linear polarization upon propagation through a medium in the presence of a longitudinal magnetic field. The effect arises from a different phase delay between the right and left handed…
In multipole-bound anions, the excess electron is attached by a short-range multipole potential of a neutral molecule. Such anions are prototypical marginally-bound open quantum systems. In particular, around the critical multipole moment…
We combine Maxwell's equations with Eulers's equation, related to a velocity field of an immaterial fluid, where the density of mass is replaced by a charge density. We come out with a differential system able to describe a relevant…
The quantum dynamics of correlated fermionic or bosonic many-body systems following external excitation can be successfully studied using nonequilibrium Green functions (NEGF) or reduced density matrix methods. Approximations are introduced…
We present a DFT+U-type functional for strong correlation, derived from multiconfigurational wavefunction theory. The reference system experiences electron-electron interactions only in DFT+U-type atomic states, yielding a block-localized…
The Quantum Hall Effect for free electrons in external periodic field is discussed without using the linear response approximation. We find that the Hall conductivity is related in a simple way to Floquet energies (associated to the…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…
By modeling a dielectric medium with two independent reservoirs, i.e., electric and magnetic reservoirs, the electromagnetic field is quantized in a linear dielectric medium consistently. A Hamiltonian is proposed from which using the…
In this paper we analyze how radiation effects influence the correlation functions, the excess energy, and in turn the electron correlation energy of the quantized electron gas at temperature $T=0$. To that aim we resort to a statistical…
It can be argued that electron correlation, as a concept, deserves the same prominence in general chemistry as molecular orbital theory. We show how it acts as Nature's "chemical glue" at both the molecular and supramolecular levels.…
The nature of electron correlations in bilayer graphene has been investigated. An analytic expression for the radial distribution function is derived for an ideal electron gas and the corresponding static structure factor is evaluated. We…
Understanding electron correlation requires solving inseparable Schrodinger equation. In general, inseparable Schr\"odinger equations cannot be solved analytically. So their solutions are obtained numerically. In this paper we investigate…