where ε is a positive (viscosity) constant and θ = 1 when we consider a self-consistent field U of electrostatic type produced by a charge density ρ (repulsive forces) or θ = −1 for the gravitational case, in which the self-consistent field is due to the mass distribution (attractive forces). The high-field limit corresponds to a different regime of the physical constants (thermal velocity and ...

Ground state properties of SiC, AlN, GaN and InN in the zinc-blende and wurtzite structures are determined using an ab initio scheme. For the selfconsistent field part of the calculations, the Hartree-Fock program Crystal has been used. Correlation contributions are evaluated using the coupledcluster approach with single and double excitations. This is done by means of increments derived for lo...

First, the Thomas-Fermi-Amaldi (TFA) equation was formulated with a newly derived condition to remove the singularities at the nuclei, which coincided with the molecular cusp condition. Next, the collocation method was applied to the TFA equation using the grid-based density functional theory. In this paper, the electron densities and the radial probabilities for specific atoms (He, Be, Ne, Mg,...

We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic energy of the center of mass is subtracted from the molecular Hamiltonian operator in the variational process. The results for the simple model are remarkabl...

We present a hybrid technique of N-body simulation to deal with collisionless stellar systems having an inhomogeneous global structure. We combine a treecode and a selfconsistent field code such that each of the codes model a different component of the system being investigated. The treecode is suited to treatment of dynamically cold or clumpy systems which may undergo significant evolution wit...

Within the Hartree-Fock approximation the ground state of the composite fermion metal is found. We observe that the single-particle energy spectrum is dominated by the logarithmic interaction exchange term which leads to an infinite jump of the singleparticle energy at the Fermi momentum. It is shown that the Hartree-Fock result brings no corrections to the RPA Fermi velocity.

glycine, alanine and valine are taken as amino acids with an equal polar head and with thedifference in the length of hydrocarbon chains. the structural optimizations show the results of theisolated glycine, alanine and valine in the gases phase, at the hartree-fock level by means ofsto-3g,3-21g, 6-31g and 6-31+g basis sets. the calculations were performed for the ten (1-10)solvents using pcm m...

We show that the equations of the Coherent Potential Approximation (C.P.A.) can be