Related papers: Kinetic Energy Matrix Elements for a two-electron …
At any resolution level of wavelet expansions the physical observable of the kinetic energy is represented by an infinite matrix which is ``canonically'' chosen as the projection of the operator $-\Delta/2$ onto the subspace of the given…
Correlation effects of an electron gas in an external potential are derived using an Effective Action functional method. Corrections beyond the random phase approximation (RPA) are naturally incorporated by this method. The Effective Action…
We report on the effect of the kinetic energy operator ambiguity on the energy spectra of various double heterostructures when the mass of the charge carriers, subjected to a potential, depends on position. The spectra are calculated using…
Partitioning of helium atom's correlation energy into radial and angular contributions, although of fundamental interest, has eluded critical scrutiny. Conventionally, radial and angular correlation energies of helium atom are defined for…
The expectation value of the Hamiltonian using a model wave function is widely used to estimate the eigenvalues of electronic Hamiltonians. We explore here a modified formula for models based on long-range interaction. It scales differently…
We obtain exact analytic expressions for (i) the electromagnetic energy radial density within and outside a multilayered sphere and (ii) the total electromagnetic energy stored within its core and each of its shells. Explicit expressions…
There is a number of explicit kinetic energy density functionals for non-interacting electron systems that are obtained in terms of the electron density and its derivatives. These semilocal functionals have been widely used in the…
We apply the well known Rayleigh-Ritz method (RRM) to the projection of a Hamiltonian operator chosen recently for the extension of the Rayleigh-Ritz variational principle to ensemble states. By means of a toy model we show that the RRM…
Coupling effects among different physical fields substantially reflect the conversion of energies from one form into another. For simple physical processes, their governing or constitutive equations all satisfy the law of conservation of…
In this work, the transition matrix elements for inelastic electron--electron scattering are investigated. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
The Casimir-Polder interaction energy between a unipolarizable point atom and a unipolarizable dielectric ring has been limited, until now, to the case when the atom is confined on the axis of symmetry of the ring. We find the generalized…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
A simple method is outlined for analytic evaluation of the basic 2-electron atomic integral with integrand containing products of atomic s-type Slater orbitals and exponentially correlated function of the form $r_{ij}…
Perhaps the simplest first-principles approach to electronic structure is to fit the charge distribution of each orbital pair and use those fits wherever they appear in the entire electron-electron (EE) interaction energy. The charge…
The properties of a special configuration of a helium-like atomic system, when both electrons are on the surface of a sphere of radius $r$, and angle $\theta$ characterizes their positions on sphere, are investigated. Unlike the previous…
We compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…
An analysis has been made of the present situation with respect to the high energy hadron-nucleus and nucleus-nucleus interaction models as applied to cosmic rays. As is already known, there are inconsistencies in the interpretation of…
Some issues that arise when modeling elastic energy for binary alloys are discussed within the context of a Keating model and density functional calculations. The Keating model is based on atomistic modeling of elastic interactions in…
A relativistic Green function approach to the inclusive quasielastic (e,e') scattering is presented. The single particle Green function is expanded in terms of the eigenfunctions of the nonhermitian optical potential. This allows one to…