Related papers: Wavefunctions for large systems as basis for elect…
Many strongly correlated states, such as those arising in the fractional quantum Hall effect and spin liquids, are described by wave functions obtained by dividing particles into multiple clusters, constructing a readily evaluable wave…
We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot…
This article is composed of two parts; In the first part (Sec. 1), the ultra-large-scale electronic structure theory is reviewed for (i) its fundamental numerical algorithm and (ii) its role in nano-material science. The second part (Sec.…
A very popular ab-initio scheme to calculate electronic properties in solids is the use of hybrid functionals in density functional theory (DFT) that mixes a portion of Fock exchange with DFT functionals. In spite of their success, a major…
A simple real-space model for the electron wavefunction is suggested, based on a transverse wave with helicity, rotating at mc^2/h. The mapping of the real two-dimensional vector phasor to the complex plane permits this to satisfy the…
Strongly correlated electron systems require the development of new theoretical schemes in order to describe their unusual and unexpected properties. The usual perturbation schemes are inadequate and new concepts must be introduced. In our…
The electron repulsion integrals over the Slater-type orbitals with non-integer principal quantum numbers are considered. These integrals are useful in both non-relativistic and relativistic calculations of many-electron systems. They…
A covariant formalism is used in order to examine the status of Maxwell equations and to unify the concept of balances, for all chemical engineering applications in relation with electrodynamics. The resulting formal structure serves as a…
The electronic response of a composite consisting of aligned metallic cylinders in vacuum is investigated, on the basis of photonic band structure calculations. The effective long-wavelength dielectric response function is computed, as a…
Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…
The circular orbits and elliptical orbits of moving objects in a gravitational field are essential information in astronomy. There have been many methods developed in the literature and textbooks to describe these orbits. In this report, I…
An differential equation for wave functions is proposed, which is equivalent to Schr\"{o}dinger's wave equation and can be used to determine energy-level gaps of quantum systems. Contrary to Schr\"{o}dinger's wave equation, this equation is…
Topological insulators have emerged as a major topic of condensed matter physics research with several novel applications proposed. Although there are now a number of established experimental examples of materials in this class, all of them…
In this comment, we reassess the underlying physics of the number sum rule for dihadron fragmentation functions. We will argue that, currently, there are no settled constraints on what constitutes a valid number density interpretation for…
Does the size of atoms present a lower limit to the size of electronic structures that can be fabricated in solids? This limit can be overcome by using devices that exploit quantum mechanical scattering of electron waves at atoms arranged…
The wavefunction in quantum field theory is an invaluable tool for tackling a variety of problems, including probing the interior of Minkowski spacetime and modelling boundary observables in de Sitter spacetime. Here we study the analytic…
We introduce a novel computational approach for the investigation of complex correlated electron materials which makes it possible to evaluate interatomic forces and thereby determine atomic displacements and structural transformations…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
We study wave equations with energy dependent potentials. Simple analytical models are found useful to illustrate difficulties encountered with the calculation and interpretation of observables. A formal analysis shows under which…
In this paper, we have given the symmetrical and antisymmetrical spin and space wave functions of three-electron, and further given the full total entanglement states for the three-electron, which are related to their space and spin wave…