For an infinite system of nucleons interacting through a central spin-isospin schematic force we discuss how the Hartree-Fock theory at finite temperature T yields back, in the T = 0 limit, the standard zero-temperature Feynman theory when there is no symmetry breaking. The attention is focused on the mechanism of cancellation of the higher order Hartree-Fock diagrams and on the dependence of t...

The pairing properties of nuclear systems are a sensitive probe of the effective nucleon-nucleon interactions. We compare the 1 S 0 pairing gaps in nuclear and neutron matter derived from the phenomenological Gogny interaction and a renormal-ization group motivated low-momentum V low k interaction extracted from realistic interactions. We find that the pairing gaps predicted by these interactio...

We prove uniqueness of ground states Q ∈ H1/2(R3) for the pseudo-relativistic Hartree equation,

the molecular geometry of complex of adenine with 8 water molecules was calculated with hartree-fock (hf). the standard 6-31g(d) basis set has been employed. the existence of c-h…o hydrogen bonds between the water molecules and the hydrophobic part of nucleobase is stablished. we optimized structures and computed interaction energies of all complexes of adenine with water molecules step by step...

a revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred hartree-fock-dispersion functional (hfd-c) spherical core treatment of the integrations for small intermolecular distances. a set of modified numerical tables for the accurate calculation of the nonspherical contribution to the second v...

Using single- and multireference approaches we have examined many of the low-lying electronic states of oxo-Mn(salen), several of which have not been explored previously. Large complete-active-space self-consistent-field (CASSCF) computations have been performed in pursuit of an accurate ordering for the lowest several electronic states. Basis set and relativistic effects have also been conside...

A definitive negative answer to the question posed in the title of this paper is given within the framework of the Hartree-Fock theory, showing in the process that earlier work on the subject which incorrectly concluded that such a charge transfer instability exists at low electron density and small layer separation is a feature of the restricted Hartree-Fock approximation. It is also argued, b...

We develop a systematic way to determine an effective nuclear charge ZD R such that the Hartree– Fock results will be significantly closer to the exact energies by utilizing the analytically known large-D limit energies. This method yields an expansion for the effective nuclear charge in powers of (1/D), which we have evaluated to the first order. This first order approximation to the desired e...

The average persistent current (Ii of diffusive electrons in trie Hartree-Fock

We present a semiclassical approach, the partial fi resummation method, to calculate nuclear ground state properties in a selfconsistent way starting from an effective nucleon-nucleon interaction. This method is shown to be easily generalized tu describe excited nuclear systems. Selfconsistent semiclassical densities can be further used as an optimal starting point for the calculation of nuclea...