Spherical Hartree-Fock calculations with linear momentum projection before the variation.Part II: Spectral functions and spectroscopic factors

The hole--spectral functions and from these the spectroscopic factors have been calculated in an Galilei--invariant way for the ground state wave functions resulting from spherical Hartree--Fock calculations with projection onto zero total linear momentum before the variation for the nuclei 4He, 12C, 16O, 28Si, 32S and 40Ca. The results are compared to those of the conventional approach which uses the ground states resulting from usual spherical Hartree--Fock calculations subtracting the kinetic energy of the center of mass motion before the variation and to the results obtained analytically with oscillator occupations.Comment: 16 pages, 22 postscript figure

Spherical Hartree-Fock calculations with linear momentum projection before the variation.Part I: Energies, form factors, charge densities and mathematical sum rules

Spherical Hartree--Fock calculations with projection onto zero total linear momentum before the variation are performed for the nuclei 4He, 12C, 16O, 28Si, 32S and 40Ca using a density--independent effective nucleon--nucleon interaction. The results are compared to those of usual spherical Hartree--Fock calculations subtracting the kinetic energy of the center of mass motion either before or after the variation and to the results obtained analytically with oscillator occupations. Total energies, hole--energies, elastic charge form factors and charge densities and the mathematical Coulomb sum rules are discussed.Comment: 16 pages, 13 postscript figure

Effect of long range forces on the interfacial profiles in thin binary polymer films

We study the effect of surface fields on the interfacial properties of a binary polymer melt confined between two parallel walls. Each wall attracts a different component of the blend by a non-retarded van der Waals potential. An interface which runs parallel to the surfaces is stabilized in the center of the film. Using extensive Monte Carlo simulations we study the interfacial properties as a function of the film thickness, the strength of the surface forces and the lateral size over which the profiles across the film are averaged. We find evidence for capillary wave broadening of the apparent interfacial profiles. However, the apparent interfacial width cannot be described quantitatively by a simple logarithmic dependence on the film thickness. The Monte Carlo simulations reveal that the surface fields give rise to an additional reduction of the intrinsic interfacial width and an increase of the effective interfacial tension upon decreasing the film thickness. These modifications of the intrinsic interfacial properties are confirmed by self-consistent field calculations. Taking account of the thickness dependence of the intrinsic interfacial properties and the capillary wave broadening, we can describe our simulation results quantitatively.Comment: to appear in J.Chem.Phy

Large-scale nuclear structure studies

The problem of microscopic nuclear structure theory in large single particle basis systems is reviewed. Several approaches are discussed, which attempt to approximate the large model spaces numerically inaccessible in complete shell model expansions of the nuclear wavefunctions. All of them use symmetry projected Hartree-Fock- Bogoliubov quasiparticle configurations as basic building blocks of the theory. They differ, however, in the degree of sophistication of the variational procedures which are used to determine the corresponding mean fields as well as the configuration mixing, up to a level, on which the construction of the configuration space itself is entirely left to the dynamics of the considered system. The mathematical formalism underlying these models is briefly summarised and the steps towards a numerical realisation are discussed. In several examples the possibilities and the power of the models are demonstrated and their limitations are shown. The models may provide a powerful tool for the analysis of experimental data as well as for predictions in still unexplored regions. On the other hand they may lead to a much better theoretical understanding of effective nuclear interactions as well as the underlying fundamental forces

Analytical Rebridging Monte Carlo: Application to cis/trans Isomerization in Proline-Containing, Cyclic Peptides

We present a new method, the analytical rebridging scheme, for Monte Carlo simulation of proline-containing, cyclic peptides. The cis/trans isomerization is accommodated by allowing for two states of the amide bond. We apply our method to five peptides that have been previously characterized by NMR methods. Our simulations achieve effective equilibration and agree well with experimental data in all cases. We discuss the importance of effective equilibration and the role of bond flexibility and solvent effects on the predicted equilibrium properties.Comment: 29 pages, 8 PostScript figures, LaTeX source. to appear in J. Chem. Phys., 199

sd-shell study with a multi-configuration mixing approach designed for large scale nuclear structure calculations

A systematic numerical investigation of a recently developed nuclear structure approach is presented which diagonalizes the Hamiltonian in the space of the symmetry-projected Hartree-Fock-Bogoliubov (HFB) vacuum and symmetry-projected quasiparticle excitations with respect to it. The underlying HFB transformation, which is assumed to be time-reversal and axially symmetric, is determined by variation after the projection. The model allows the use of large basis systems. It has been applied to the calculation of energy spectra of several even-even, odd-odd and odd mass nuclei in the sd shell with mass numbers reaching from A=20 to 30. The Chung-Wildenthal interaction has been used. Good agreement with the exact shell model diagonalization and a considerable improvement on a previous approach, where the HFB transformation was significantly more restricted, is obtained

Toward the Evidence of the Accretion Disk Emission in the Symbiotic Star RR Tel

In this paper, we argue that in the symbiotic star RR Tel the existence of an accretion disk around the hot companion is strongly implied by the characteristic features exhibited by the Raman-scattered O VI lines around 6830 \AA and 7088 \AA. High degrees of polarization and double-peaked profiles in the Raman-scattered lines and single-peak profiles for other emission lines are interpreted as line-of-sight effects, where the H I scatterers near the giant see an incident double-peaked profile and an observer with a low inclination sees single-peak profiles. It is predicted that different mass concentrations around the accretion disk formed by a dusty wind may lead to the disparate ratios of the blue peak strength to the red counterpart observed in the 6830 and 7088 features. We discuss the evolutionary links between symbiotic stars and bipolar protoplanetary nebulae and conclude that the Raman scattering processes may play an important role in investigation of the physical properties of these objects.Comment: 11 pages, 3 figures, accepted for publication in the ApJ Letter

Predicting narrow states in the spectrum of a nucleus beyond the proton drip line

Properties of particle-unstable nuclei lying beyond the proton drip line can be ascertained by considering those (usually known) properties of its mirror neutron-rich system. We have used a multi-channel algebraic scattering theory to map the known properties of the neutron-${}^{14}$C system to those of the proton-${}^{14}$O one from which we deduce that the particle-unstable ${}^{15}$F will have a spectrum of two low lying broad resonances of positive parity and, at higher excitation, three narrow negative parity ones. A key feature is to use coupling to Pauli-hindered states in the target.Comment: 5 pages, 3 figure