Related papers: Electronegativity Scale from Path Integral Formula…
A recently developed formalism in which Kohn-Sham calculations are combined with an ``average pair density functional theory'' is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism…
In this Letter, we develop an electrostatic theory for designing bulk composites with effective lossless negative permittivities. The theory and associated design procedure are validated by comparing their predictions with those of rigorous…
The polarizability measures how the system responds to an applied electrical field. Computationally, there are many different ways to evaluate this tensorial quantity, some of which rely on the explicit use of the external perturbation and…
Stochastic density functional theory is applied to analyze the conductivity of strong two species electrolytes at arbitrary field strengths. The corresponding stochastic equations for the density of the electrolyte species are solved by…
We consider how vectorial aspects (polarization) of light propagation can be implemented, and its origin, within a Feynman path integral approach. A key part of this scheme is in generalising the standard optical path length integral from a…
Self-consistent calculations of the energy-loss spectra of charged particles moving near a plane-bounded free electron gas are reported. Energy-loss probabilities are obtained, within linear-response theory, from the knowledge of the…
The problem of the measurability of the electromagnetic field is investigated 1) in the framework of the abstract restricted-path-integral method, and 2) by explicitly accounting the action of the field onto the meter and its back reaction.…
Using the Wentzel-Kramers-Brillouin method, we derive a modified form of the Thomas-Fermi approximation to electron density. This new result enables us to calculate the details of the self-consistent ion cores, as well as the ionization…
Electronegativity is a cornerstone of chemical intuition, essential for rationalizing bonding, reactivity, and material properties. However, prevailing scales remain empirically derived, often relying on parameterized models or composite…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
The adiabatic connection of density functional theory (DFT) for electronic systems is generalized here to negative values of the coupling strength $\alpha$ (with {\em attractive} electrons). In the extreme limit $\alpha\to-\infty$ a simple…
We inspect the optical properties of dissipative double-negative metamaterials (DNMM) and find explicit expression for the total reflection angle and the correct Fresnel formulae describing the reflection and refraction for the DNMM at the…
A new general expression is derived for nuclear electron capture rates within dense plasmas. Its qualitative nature leads us to question some widely accepted assumptions about how to calculate the effects of the plasma on the rates. A…
An overview of several recent developments in density functional theory for classical inhomogeneous liquids is given. We show how Levy's constrained search method can be used to derive the variational principle that underlies density…
A delta-function method was proposed to quantitatively evaluate the electromagnetic impedance matching degree. Measured electromagnetic parameters of {\alpha}-Fe/Fe3B/Y2O3 nanocomposites are applied to calculate the matching degree by the…
Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…
The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
We introduce a kind of electromagnetism, which we call viscoelastic-electromagnetism, to investigate viscoelastic transport phenomena. It is shown that Cartan's formalism of general relativity is essential for viscoelastic theory, and then…
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between the three basic variables of the theory, i.e., the density…