We show how the linear delta expansion, as applied to the slow-roll transition in quantum mechanics, can be recast in the closed time-path formalism. This results in simpler, explicit expressions than were obtained in the Schrödinger formulation and allows for a straightforward generalization to higher dimensions. Motivated by the success of the method in the quantummechanical problem, where it...

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 ...

We have studied the core-polarization effect on the IsOd-she11 single-particle electromagnetic quadrupole transitions due to coupling with the quadrupole giant resonances. The self-consistent Hartree-Fock + RPA method is applied for the calculations of the single-particle wave functions and the response functions of the giant resonances. The particle-vibration-coupling model is used to calculat...

This work presents a procedure to optimize the molecular geometry at the Hartree-Fock level, based on a global optimization method—the Generalized Simulated Annealing. The main characteristic of this methodology is that, at least in principle, it enables the mapping of the energy hypersurface as to guarantee the achievement of the absolute minimum. This method does not use expansions of the ene...

The Hartree-Fock equations describe atomic and molecular eletronic wave functions, based on the minimization of a functional of the energy. This can be formulated as a constrained global optimization problem involving nonconvex polynomials exhibiting many local minima. The traditional method of solving the Hartree-Fock problem does not provide a guarantee of global optimality and is very sensit...

Symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations are derived using the variational ansatz for the generalized one-body density-matrix in the Valatin form. It is shown that the projected-energy functional can be completely expressed in terms of the HFB density-matrix and the pairing-tensor. The variation of this projected-energy is shown to result in HFB equations with modified express...

Using the Kadanoff-Baym non-equilibrium Green’s function formalism, we derive the self-consistent Hartree-Fock-Bogoliubov (HFB) collisionless kinetic equations and the associated equation of motion for the condensate wavefunction for a trapped Bose-condensed gas. Our work generalizes earlier work by Kane and Kadanoff (KK) for a uniform Bose gas. We include the off-diagonal (anomalous) pair corr...

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...

We discuss axially symmetric time-dependent Hartree-Fock calculations using a finite-range modification of the Skyrme energy functional. The finite-difference forms of the coordinate-space time-dependent Hartree-Fock equations, the method of time evolution, and other numerical aspects are presented. Detailed results for 84Krinduced deep-inelastic collisions with 208Pb at E 1,b = 494 MeV and wit...

We discuss two different approximation schemes for the self-consistent solution of the relativistic Brueckner-Hartree-Fock equation for finite nuclei. In the first scheme, the Dirac effects are deduced from corresponding nuclear matter calculations, whereas in the second approach the local-density approximation is used to account for the effects of correlations. The results obtained by the two ...