相关论文: Electron Wavefunctions and Densities for Atoms

The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a priori upper bound for such local distributions of the densities…

This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…

We have obtained the solutions of linearized Shr{\"o}dinger equation for spherically and axially symmetrical electrons density oscillations in plasma in the approximation of the self-consistent field. It was shown that in the center or on…

Within standard treatments of the interacting electron--phonon system the electron density of states (EDOS) shows no sign of the phonons when the system is in the normal state. On the other hand, emergence of a fine energy scale in the…

Closed-form, normalizable solutions of Dirac's equation propagating within a semi-infinite cylindrical waveguide are obtained in terms of ordinary and modified Bessel functions. These relativistic wave packets induce quantum backflow on a…

We extend balloon and sample-smoothing estimators, two types of variable-bandwidth kernel density estimators, by a shift parameter and derive their asymptotic properties. Our approach facilitates the unified study of a wide range of density…

We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration,…

Accelerating electrons are known to radiate electromagnetic waves, a property that is central to the concept of many devices, from antennas to synchrotrons. While the electrodynamics of accelerating charged particles is well understood, the…

The standard solution of the Schroedinger equation for the hydrogen atom is analyzed. Comparing with the recently established internal properties of electrons it is found, that these solutions cannot be seen as physically valid states of…

The density of states for the Schroedinger equation with a Gaussian random potential is calculated in a space of dimension d=4-epsilon in the entire energy range including the vicinity of a mobility edge. Leading terms in 1/epsilon are…

The properties of nuclei embedded in an electron gas are studied within the relativistic mean-field approach. These studies are relevant for nuclear properties in astrophysical environments such as neutron-star crusts and supernova…

Obtaining general relations between macroscopic properties of random assemblies, such as density, and the microscopic properties of their constituent particles, such as shape, is a foundational challenge in the study of amorphous materials.…

As a class of electron-rich materials, electrides demonstrate promising applications in many fields. However, the required high pressure restricts the practical applications to some extent. This study reveals that the unique feature of…

Using a TE/TM decomposition for an angular plane-wave spectrum of free random electromagnetic waves and matched boundary conditions, we derive the probability density function for the energy density of the vector electric field in the…

An explicit formula is derived for the electromagnetic (EM) field scattered by one small impedance particle $D$ of an arbitrary shape. If $a$ is the characteristic size of the particle, $\lambda$ is the wavelength, $a<<\lambda$ and $\zeta$…

A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any…

The $N\to\infty$ limit of the edges of finite planar electron densities is discussed for higher Landau levels. For full filling, the particle number is correlated with the magnetic flux, and hence with the boundary location, making the…

It is shown that all of the basic properties of the hydrogen atom can be consistently described in terms of classical electrodynamics instead of taking the electron to be a particle; we consider an electrically charged classical wave field,…

As a continuation of our earlier investigations into electron wave--spin~\citep{GaoJOPCO22,EntropyEvaSpin2024}, we analyze the electron spin and its qubit in a cavity by treating the electron as a physical wave obeying the Dirac equation.…

A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores is proposed. Among…