Related papers: Electrophilicity Equalization Principle
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…
Recently, the emergence of a higher energy structure (HES) due to a spatial inhomogeneity in the laser electric field, as is typically found close to a nano tip, was reported in Phys.~Rev. Letter {\bf 119}, 053204 (2017). For practical…
Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can…
Power loss in the electronic system is a very crucial limiting factor that can be reduced or minimized with the help of using the reversible logics "a concept came from Thermodynamics". In this paper the authors shows the concept of…
We discuss critical elliptic systems in potential form. We prove existence, multiplicity, and compactness of solutions.
A general organizing principle is proposed that can be used to derive the equations of motion describing the near-equilibrium dynamics of causal and thermodynamically stable relativistic systems. The latter are found to display some new…
Advantages of introducing the electron structure function (ESF) in electron induced processes are demonstrated. Contrary to the photon structure function it is directly measured in such processes. At present energies a simultaneous analysis…
Analogies between mechanical and electrical systems have been developed and applied for almost a century, and they have proved their usefulness in the study of mechanical and electrical systems. The development of new elements such as the…
An invariance principle for Az\'{e}ma martingales is presented as well as a new device to construct solutions of Emery's structure equations.
Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is…
The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
Electron-electron correlation forms the basis of difficulties encountered in multi-electron systems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In…
This paper develops an analytical and rigorous formulation of the maximum entropy generation principle. The result is suggested as the Fourth Law of Thermodynamics.
Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…
The Pauli exclusion principle can be stated as inequality $<\psi|\rho|\psi>\le 1$ for the electron density matrix $\rho$. Nowadays it is replaced by skew symmetry of the multi-electron wave function. The replacement leads to numerous…
An approximate analytical expression for "capacitance" of MWPC configurations circulates in the literature since decades and is copied over and over again. In this paper we will try to show that this formula corresponds to a physical…
It has been known for some years that entanglement entropy obtained from partial trace does not provide the correct entanglement measure when applied to systems of identical particles. Several criteria have been proposed that have the…
Various types of equilibrium processes involve electric fields. In some cases, the electrical energy appears to be negative (e.g. if the voltage is fixed by an external source). This paper explains how to derive the correct thermo-dynamic…