A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene
A study of the electronic structure of the complete valence shell of allene (1,2-propadiene) is reported. New high-resolution binding-energy spectra were measured in the energy regime 6–34.5 eV over a range of different target electron momenta, so that momentum distributions (MDs) could be determined for each molecular orbital. These data supersede the low-resolution work of Braidwood et al. [ (1994) 2075–2087], and also clarify some ambiguities with the earlier results. Theoretical MDs were calculated using a plane wave impulse approximation (PWIA) model for the reaction mechanism and density functional theory (DFT) for the wave function. Three basis sets, at the local spin density (LSD) approximation level and, additionally, incorporating nonlocal corrections such as the generalized gradient approximation (GGA), were studied. A critical comparison between the experimental and theoretical MDs was made, and it allowed us to determine the “optimum” wave function for allene from the basis sets we considered. This wave function is then used to derive allene's chemically interesting molecular properties. A summary of some of these results and a comparison of them with those of other workers is also presented with the level of agreement typically being good.

title: Time-Dependent Scattering Experiment
abstract: Theory is developed for a time-dependenit scatternng experiment that consists in following the time development of a photon wave packet scattered resonantly from the metastable state of an appropriate nucleus.

title: Analytic distorted waves for intermediate-energy alpha particles

title: Off-shell effects in the (p, 2p) reaction
abstract: It is shown that, within the limitations of the distorted-wave off-shell impulse approximation, future accurate (p, 2p) experiments near 150 MeV incident energy can be helpful in distinguishing between some of six phenomenological nuclear potentials that are examined. On-shell differences between the Reid soft-core and five different one-boson-exchange potentials are amplified in the (p, 2p) context in such a way that an accurately measurable feature, the peak height ratio for 1p knockout, is sensitive to them.

title: Theory of (p,2p) reactions at medium energies
abstract: A new and effective means of calculating matrix elements relevant to direct interactions is introduced and applied to a distorted-wave t matrix approximation analysis of the /sup 12/C(p,2p9/sup 11/B and /sup 16/O(p,2p)/sup 15/N reactions at 45-50 MeV incident energy. A realistic separable two-body t matrix has been employed and core polarization, whereby the final state is generated after excitation of giant resonance target states, has been included. The integrals involved in the matrix elements were calculated analytically by making a parametrization of the distorted scattering wave functions, the nucleon-nucleon interaction, and the bound state wave function, the parameters being chosen in accordance with elastic (p,p) and inelastic (p,p') data and realistic shell model wave functions. The results indicate the inadequacy of a distorted-wave t-matrix approximation analysis at these energies.

title: SCATTERING OF ENERGY-TIME WAVE PACKETS FROM MANY-BODY SYSTEMS

title: X-ray coronae in simulations of disc galaxy formation
abstract: The existence of X-ray luminous gaseous coronae around massive disc galaxies is a long-standing prediction of galaxy formation theory in the cold dark matter cosmogony. This prediction has garnered little observational support, with non-detections commonplace and detections for only a relatively small number of galaxies which are much less luminous than expected. We investigate the coronal properties of a large sample of bright, disc-dominated galaxies extracted from the GIMIC suite of cosmological hydrodynamic simulations recently presented by Crain et al. Remarkably, the simulations reproduce the observed scalings of X-ray luminosity with K-band luminosity and star formation rate (SFR) and, when account is taken of the density structure of the halo, with disc rotation velocity as well. Most of the star formation in the simulated galaxies (which have realistic stellar mass fractions) is fuelled by gas cooling from a quasi-hydrostatic hot corona. However, these coronae are more diffuse, and of a lower luminosity, than predicted by the analytic models of White & Frenk because of a substantial increase in entropy at z∼ 1–3. Both the removal of low entropy gas by star formation and energy injection from supernovae contribute to this increase in entropy, but the latter is dominant for halo masses M200≲ 1012.5 M⊙. Only a small fraction of the mass of the hot gas is outflowing as a wind but, because of its high density and metallicity, it contributes disproportionally to the X-ray emission. The bulk of the X-ray emission, however, comes from the diffuse quasi-hydrostatic corona which supplies the fuel for ongoing star formation in discs today. Future deep X-ray observations with high spectral resolution (e.g. with NeXT/ASTRO-H or IXO) should be able to map the velocity structure of the hot gas and test this fundamental prediction of current galaxy formation theory.

title: Probing the cosmic web: intercluster filament detection using gravitational lensing
abstract: The problem of detecting dark matter filaments in the cosmic web is considered. Weak lensing is an ideal probe of dark matter, and therefore forms the basis of particularly promising detection methods. We consider and develop a number of weak lensing techniques that could be used to detect filaments in individual or stacked cluster fields, and apply them to synthetic lensing data sets in the fields of clusters from the Millennium Simulation. These techniques are multipole moments of the shear and convergence, mass reconstruction and parametrized fits to filament mass profiles using a Markov chain Monte Carlo approach. In particular, two new filament detection techniques are explored (multipole shear filters and Markov chain Monte Carlo mass profile fits), and we outline the quality of data required to be able to identify and quantify filament profiles. We also consider the effects of large-scale structure on filament detection. We conclude that using these techniques, there will be realistic prospects of detecting filaments in data from future space-based missions. The methods presented in this paper will be of great use in the identification of dark matter filaments in future surveys.

title: Towards a holistic view of the heating and cooling of the intracluster medium
abstract: X-ray clusters are conventionally divided into two classes: ‘cool core’ (CC) clusters and ‘non-cool core’ (NCC) clusters. Yet relatively little attention has been given to the origins of this apparent dichotomy and, in particular, to the energetics and thermal histories of the two classes. We develop a model for the entropy profiles of clusters starting from the configuration established by gravitational shock heating and radiative cooling. At large radii, gravitational heating accounts for the observed profiles and their scalings well. However, at small and intermediate radii, radiative cooling and gravitational heating cannot be combined to explain the observed profiles of either CC or NCC clusters. The inferred entropy profiles of NCC clusters require that material is ‘pre-heated’ prior to cluster collapse in order to explain the absence of low-entropy (cool) material in these systems. We show that a similar modification is also required in CC clusters in order to match their entropy profiles at intermediate radii. In CC clusters, this modification is unstable, and an additional process is required to prevent cooling below a temperature of a few keV. We show that this can be achieved by adding a self-consistent active galactic nuclei (AGN) feedback loop in which the lowest entropy, most rapidly cooling material is heated and rises buoyantly to mix with material at larger radii. The resulting model does not require fine-tuning and is in excellent agreement with a wide variety of observational data from Chandra and XMM–Newton, including entropy and gas density profiles, the luminosity–temperature relation and high-resolution spectra. The spread in cluster core morphologies is seen to arise because of the steep dependence of the central cooling time on the initial level of pre-heating. Some of the other implications of this model are briefly discussed.

title: Revisiting the baryon fractions of galaxy clusters: a comparison with WMAP 3-yr results
abstract: The universal baryonic mass fraction (Ω b /Ω m ) can be sensitively constrained using X-ray observations of galaxy clusters. In this paper, we compare the baryonic mass fraction inferred from measurements of the cosmic microwave background with the gas mass fractions (f gas ) of a large sample of clusters taken from the recent literature. In systems cooler than 4 keV, /gas declines as the system temperature decreases. However, in higher temperature systems, f gas (r 500 ) converges to≈(0.12 ± 0.02) (h /0.72) -1.5 , where the uncertainty reflects the systematic variations between clusters at r 500· This is significantly lower than the maximum-likelihood value of the baryon fraction from the recently released Wilkinson Microwave Anisotropy Probe (WMAP) 3-yr results. We investigate possible reasons for this discrepancy, including the effects of radiative cooling and non-gravitational heating, and conclude that the most likely solution is that Ω m is higher than the best-fitting WMAP value (we find Ω m =0.36 +0.11 ¯0.08 , but consistent at the 2σ level. Degeneracies within the WMAP data require that σ 8 must also be greater than the maximum likelihood value for consistency between the data sets.

title: On the Intracluster Medium in Cooling Flow & Non-Cooling Flow Clusters
abstract: Recent X-ray observations have highlighted clusters that lack entropy cores. At first glance, these results appear to invalidate the preheated ICM models. We show that a self-consistent preheating model, which factors in the effects of radiative cooling, is in excellent agreement with the observations. Moreover, the model naturally explains the intrinsic scatter in the L-T relation, with “cooling flow” and “non-cooling flow” systems corresponding to mildly and strongly preheated systems, respectively. We discuss why preheating ought to be favoured over merging as a mechanism for the origin of “non-cooling flow” clusters.