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

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

Incorporating interactive 3-dimensional graphics in astronomy research papers

Most research data collections created or used by astronomers are intrinsically multi-dimensional. In contrast, all visual representations of data presented within research papers are exclusively 2-dimensional. We present a resolution of this dichotomy that uses a novel technique for embedding 3-dimensional (3-d) visualisations of astronomy data sets in electronic-format research papers. Our technique uses the latest Adobe Portable Document Format extensions together with a new version of the S2PLOT programming library. The 3-d models can be easily rotated and explored by the reader and, in some cases, modified. We demonstrate example applications of this technique including: 3-d figures exhibiting subtle structure in redshift catalogues, colour-magnitude diagrams and halo merger trees; 3-d isosurface and volume renderings of cosmological simulations; and 3-d models of instructional diagrams and instrument designs.Comment: 18 pages, 7 figures, submitted to New Astronomy. For paper with 3-dimensional embedded figures, see http://astronomy.swin.edu.au/s2plot/3dpd

Non-linear optomechanical measurement of mechanical motion

Precision measurement of non-linear observables is an important goal in all facets of quantum optics. This allows measurement-based non-classical state preparation, which has been applied to great success in various physical systems, and provides a route for quantum information processing with otherwise linear interactions. In cavity optomechanics much progress has been made using linear interactions and measurement, but observation of non-linear mechanical degrees-of-freedom remains outstanding. Here we report the observation of displacement-squared thermal motion of a micro-mechanical resonator by exploiting the intrinsic non-linearity of the radiation pressure interaction. Using this measurement we generate bimodal mechanical states of motion with separations and feature sizes well below 100~pm. Future improvements to this approach will allow the preparation of quantum superposition states, which can be used to experimentally explore collapse models of the wavefunction and the potential for mechanical-resonator-based quantum information and metrology applications.Comment: 8 pages, 4 figures, extensive supplementary material available with published versio

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