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An electromagnetic trinity comprising vacuum, anti--vacuum, and nihility is postulated -- after making use of materials with "negative permittivity" and "negative permeability" -- to illuminate the structure of electromagnetic theory, at…
A method to describe spectra starting from nuclear density functionals is explored. The idea is based on postulating an effective Hamiltonian that reproduces the stiffness associated with collective modes. The method defines a simple form…
Finding a proper local measure of chemical hardness has been a long-standing aim of density functional theory. The traditional approach to defining a local hardness index, by the derivative of the chemical potential with respect to the…
In a previous paper, a bound on the negative energy density seen by an arbitrary inertial observer was derived for the free massless, quantized scalar field in four-dimensional Minkowski spacetime. This constraint has the form of an…
Recent Magnetospheric Multiscale (MMS) observations report approximate equality between electric and magnetic field energy spectral densities, $\varepsilon_{0} P[\delta E]/2 \approx P[\delta B]/(2\mu_{0})$, at sub-electron scales in…
We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of the…
Electron affinity, electronegativity and electrophilicity of several neutral atoms and their positive and negative ions are calculated at various levels of theory using different basis sets in the gas phase as well as in the presence of…
The Feynman path integral for nonrelativistic quantum electrodynamics is studied mathematically of a standard model in physics, where the electromagnetic potential is assumed to be periodic with respect to a large box and quantized thorough…
Using the Feynman path integral representation of quantum mechanics it is possible to derive a model of an electron in a random system containing dense and weakly-coupled scatterers, see [Proc. Phys. Soc. 83, 495-496 (1964)]. The main goal…
The recently published analytic probability density function for the mildly non-linear cosmic density field within spherical cells is used to build a simple but accurate maximum likelihood estimate for the redshift evolution of the variance…
The density of states for a particle moving in a random potential with a Gaussian correlator is calculated exactly using the functional integral technique. It is achieved by expressing the functional degrees of freedom in terms of the…
We present a computationally efficient method to incorporate density-functional theory into the calculation of reflectivity in low-energy electron microscopy. The reflectivity is determined by matching plane waves representing the electron…
We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…
The ab initio simulation of charged interfaces in the framework of density functional theory (DFT) is heavily employed for the study of electrochemical energy conversion processes. The capacitance is the primary descriptor for the response…
We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been…
We introduce a functional of the local spectral electron density which can be used to to compute the total energy and the local spectral function of strongly-correlated materials. We illustrate the applicability of the method by using as an…
A novel low complexity method to perform self-consistent electronic-structure calculations using the Kohn-Sham formalism of density functional theory is presented. Localization constraints are neither imposed nor required thereby allowing…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
We construct a quantum theory of light in nonlinear dielectric media with dispersion and absorption. We employ a mesoscopic model for the light-matter interaction that include a fourth-order nonlinearity in the material response.…
Mobile charge in an electrolytic solution can in principle be represented as the divergence of ionic polarization. After adding explicit solvent polarization a finite volume of electrolyte can then be treated as a composite non-uniform…