Related papers: A dynamical model of the chemical bond
Relations between particle and wave properties for charge carriers in periodic potentials of crystalline metals and semiconductors are derived. The particle aspects of electrons and holes in periodic potentials are considered using…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
In Molecular Dynamics (MD), the forces applied to atoms derive from potentials which describe the energy of bonds, valence angles, torsion angles, and Lennard-Jones interactions of which molecules are made. These de finitions are classic;…
We assume a triple geometric structure for the electromagnetic nuclear interaction. This nuclear electromagnetism is used to calculate the binding energies of the deuteron and the neutron. The corresponding Pauli quantum wave equation in a…
We present a formulation of quantum mechanics based on orthogonal polynomials. The wavefunction is expanded over a complete set of square integrable basis in configuration space where the expansion coefficients are orthogonal polynomials in…
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 purpose of this paper is to extend the Kitaev model to a general dimensional diamond crystal. We define the Hamiltonian by using representations of Clifford algebras. Then we compute the energy functions. We show that the energy…
The density functional determining the Coulomb energy of nuclei is calculated to the first order in $e^2$. It is shown that the Coulomb energy includes three terms: the Hartree energy; the Fock energy; and the correlation Coulomb energy…
we study the effect of Coulomb interactions on balance energy for various colliding nuclei in terms of mass asymmetry. This study shows that the balance energy is affected by the Coulomb interactions as well as different nuclear equations…
We previously proposed a formula for calculating the Coulomb energy of spherical nucleus with Wood-Saxon charge distribution. In this work, the analytical formula is extended for description of the Coulomb energy of nucleus with beta2…
We numerically calculate the energy and momentum transfer rates due to Coulomb scattering between two fluids moving with a relative velocity. The results are fitted by simple functions. The fitting formulae are useful to simulate outflows…
The dynamic sructure factor as the basic quantity describing the collective excitations in a fluid is considered. We consider the cases of neutral and Coulombic fluids. The classical method of moments is applied to construct the dynamic…
A concept of kinetic energy in quantum mechanics is analyzed. Kinetic energy is a non-zero positive value in many cases of bound states, when a wave function is a real-valued one and there are no visible motion and flux. This can be…
Author presents mathematical model for acting-on-a-distance attractive and repulsive forces based on propagation of energy waves that produces Newton expression for gravitational and Coulomb expression for electrostatic forces. Model uses…
We propose a lattice density-functional theory for {\it ab initio} quantum chemistry or physics as a route to an efficient approach that approximates the full configuration interaction energy and orbital occupations for molecules with…
An exact analytical solution for the Bohr Hamiltonian with an energy dependent Coulomb-like $\gamma$-unstable potential is presented. Due to the linear energy dependence of the potential's coupling constant, the corresponding spectrum in…
The {\em hydrodynamic} approach to a continuum mechanical description of granular behavior is reviewed and elucidated. By considering energy and momentum conservation simultaneously, the general formalism of {\em hydrodynamics} provides a…
In the framework of classical statistical mechanics and assuming the electronic ground-state Born-Oppenheimer approximation, we show in this work that a dependence of the equilibrium bond-length on the available volume is to be expected for…
Kinetic energy of individual fission fragment for actinide nuclei is, for example, important for evaluating the prompt-neutron spectrum in the laboratory system. It is experimentally known that kinetic energy for each fragment is constant…