We calculate ground state energies in the Brueckner-Hartree-Fock theory for N electrons with N 20 confined to a circular quantum dot and in presence of a static magnetic field. Comparison with the predictions of Hartree-Fock, local-spin-density and exact configuration-interaction theories is made. We find that the correlations taken into account in Brueckner-Hartree-Fock calculations give an im...

We report on numerical studies of the influence of Coulomb interactions on localization of electronic wavefunctions in a strong magnetic field. Interactions are treated in the Hartree-Fock approximation. Localization properties are studied both by evaluating participation ratios of Hartree-Fock eigenfunc-tions and by studying the boundary-condition dependence of Hartree-Fock eigenvalues. We fin...

It is well-known that in bulk, the solution of the Bogoliubov-de Gennes equations is the same whether or not the Hartree-Fock term is included. In this case the Hartree-Fock potential is position independent and, so, gives the same contribution to both the single-electron energies and the Fermi level (the chemical potential). Thus, the single-electron energy measured from the Fermi level (it co...

We present the Hartree-Fock approximation method for the many-body problems in Quantum Mechanics cor r esponding to the interaction of neutrons and protons We study the vanous farms of Hartree-Fock équations, the questions related to spin-dependence and spin-orbtt forces, symmetries of the nucleus and symmetry breakings and time-dependent Hartree-Fock équations AMS (MOS) Subject Classifications...

The direct ~recomputation of two-electron integrals! implementation of the gauge-including atomic orbital ~GIAO! and the CSGT ~continuous set of gauge transformations! methods for calculating nuclear magnetic shielding tensors at both the Hartree-Fock and density functional levels of theory are presented. Isotropic C, N, and O magnetic shielding constants for several molecules, including taxol ...

The properties of hot matter are studied in the frame of the relativistic Brueckner-Hartree-Fock theory. The equations are solved self-consistently in the full Dirac space. For the interaction we used the potentials given by Brockmann and Machleidt. The obtained critical temperatures are smaller than in most of the nonrelativistic investigations. We also calculated the thermodynamic properties ...

The properties of hot matter are studied in the frame of the relativistic Brueckner-Hartree-Fock theory. The equations are solved self-consistently in the full Dirac space. For the interaction we used the potentials given by Brockmann and Machleidt. The obtained critical temperatures are smaller than in most of the nonrelativistic investigations. We also calculated the thermodynamic properties ...

For neutral atoms and molecules and positive ions and radicals, we prove the existence of solutions of the Hartree-Fock equations which minimize the Hartree-Fock energy. We establish some properties of the solutions including exponential falloff.

the interaction of dopamine and cysteine for formation of 5-s-cysteinyldopamine are investigated at thehartree-fock level theory. the structural and vibrational properties of 5-s-cysteinyldopamine are studiedat level of hf/6-31g*.interaction energy ( ae) is calculated -771.6923 kcal/mol rotational energy andthermodynamic parameters around two bond have been determined using hf/3-21g. changes of...