Transition probabilities are calculated for individual and multiplet lines between some excited states in neutral sodium by using the weakest bound electron potential model theory. In the determination of parameters required for calculation of transition probabilities, we employed numerical non-relativistic Hartree–Fock wave functions for expectation values of radii in all levels. The necessary...

The impact of Hartree-Fock correlations on the nuclear momentum distribution is studied in a fully relativistic one boson exchange model. Hartree-Fock equations are exactly solved to first order in the coupling constants. The renormalization of the Dirac spinors in the medium is shown to affect the momentum distribution, as opposed to what happens in the non-relativistic case. The unitarity of ...

Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations and relativistic configuration interaction (RCI) calculations were performed for states of the 3l3l′, 3l4l′ and 3s5l configurations in the Mg-like ions Ca IX – As XXII and Kr XXV. Valence and core-valence electron correlation effects are accounted for through large configuration state function expansions. Calculated excitation energies ...

The Hartree-Fock-Bogoliubov (HFB) equations in coordinate representation are solved exactly, i.e., with correct asymptotic boundary conditions for the continuous spectrum. The calculations are performed with effective Skyrme interactions. The exact HFB solutions are compared with HFB calculations based on box boundary conditions and with resonant continuum Hartree-Fock-BCS (HF-BCS) results. The...

Starting from explicitly correlated wavefunctions, the one-body momentum density, γ ( E p), and the expectation values 〈δ( E p)〉 and 〈pn〉, with n = −2 to +3, have been obtained for the atoms helium to neon. All the calculations have been carried out by using the Monte Carlo algorithm. An analysis of the numerical accuracy of the method has been performed within the Hartree– Fock framework. The ...

A conformational analysis of nine macrocyclic thioether musks has been carried out using molecular mechanics (MMFF), density functional theory (DFT) using both B3LYP and M06 functionals, as well as Hartree-Fock and post-Hartree-Fock (MP2) ab initio methods. 6-Thia-, 10-thia- and 4-methyl-5-thia-14-tetradecananolide, 4-thia-, 7-thia-, 11-thia- and 12-thia-15-pentadecanolide and 6-thia- and 12-th...

We study the spin-ordering and the magnon collective modes of the twodimensional Wigner crystal state at strong magnetic fields. Our work is based on the Hartree-Fock approximation for the ground state and the timedependent Hartree-Fock approximation for the collective modes. We find that the ground state is ferromagnetic, i.e., that all spins are aligned at T = 0 even when the electronic g-fac...

The Hartree-Fock-Bogoliubov (HFB) equations in coordinate representation are solved exactly, i.e., with correct asymptotic boundary conditions for the continuous spectrum. The calculations are performed with effective Skyrme interactions. The exact HFB solutions are compared with HFB calculations based on box boundary conditions and with resonant continuum Hartree-Fock-BCS (HF-BCS) results. The...

We study the Hartree-Fock-Bogoliubov mean-field theory as applied to a two-dimensional finite trapped Bose gas at low temperatures and find that, in the Hartree-Fock approximation, the system can be described either with or without the presence of a condensate; this is true in the thermodynamic limit as well. We are unable to find condensate solutions when we consider a scheme that predicts the...

We investigate spontaneous interlayer phase coherence and the occurrence of the quantum Hall effect in triple-layer electron systems. Our work is based on a simple tight-binding model that greatly facilitates calculations and whose accuracy is verified by comparison with recent experiments. By calculating the ground state in an unrestricted Hartree-Fock approximation and the collective-mode spe...