A general interacting boson model of clustering in nuclei is presented. The model is then specialized to the case of n identical α-clusters [U(6) (CRTIMES) U(4)] , followed by a detailed study of the SU(3) dynamical limit. Many useful formulae are derived in this limit. The general problem of coexistence and configuration mixing is discussed, and a useful SU(3) bank mixing approximation (BMA) is presented. Formulae for the case of two mixed configurations are derived. The method of calculating the matrix elements for two-nucleon transfer reactions is demonstrated, and formulae for α-decay reduced widths are given. This model is then utilized for the study of the systematic trends of the data available for actinide nuclei. Most of the results presented here are for the well-deformed even-even mass actinides with A < 242; however, some trends in going to the spherical region and to larger A are studied. Tests, based on experimental data, are presented to discriminate between different limits of this model, and between this and other models. The limit of the model presented here satisfies all of the experimental tests found, while all other competing models were found to have serious deficiencies. This phenomenological study indicates that α-clustering effects are of fundamental importance for understanding the structure and dynamics of actinide nuclei. Suggestions for future research are made, some of which are based on preliminary work that has already been done.

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Quantum chemical methods to predict experimental chiroptical properties by solving the time-dependent Schrödinger equation are useful in the assignment of absolute configurations. Chiroptical properties, being very sensitive to the electronic structure of the system, require highly-accurate methods on the one hand and on the other, need to be able to be computed with limited computational resources. The calculation of the optical rotation in the solution phase is complicated by solvent effects. In order to capture those solvent effects, we present a study that uses conformational averaging and time-dependent density functional theory calculations that incorporate solvent molecules explicitly in the quantum mechanical region. While considering several controllable parameters along which the system's optical rotation varies, we find that the sampling of the dynamical trajectory and the density functional chosen have the largest impact on the value of the rotation. In order to eliminate the arbitrariness of the choice of density functional, we would prefer to use coupled cluster theory, a robust and systematically improvable method. However, the high-order polynomial scaling of coupled cluster theory makes it intractable for numerous large calculations, including the conformational averaging required for optical rotation calculations in solution. We therefore attempt to reduce the scaling of a linear response coupled cluster singles and doubles (LR-CCSD) calculation via a perturbed pair natural orbital (PNO++) local correlation approach which uses an orbital space created using a perturbed density matrix. We find that by creating a "combined PNO++" space, incorporating a set of orbitals from the unperturbed pair natural orbital (PNO) space into the PNO++ space, we can obtain well-behaved convergence behavior for both CCSD correlation energies and linear response properties, including dynamic polarizabilities and optical rotations, for the small systems considered. The PNO++ and combined PNO++ methods require aggressive truncation to keep the computational cost low, due to an expensive two-electron integral transformation at the beginning of the calculation. We apply the methods to larger systems than previously studied and refine them for more aggressive truncation by exploring an alternative form of the perturbed density and a perturbation-including weak pair approximation. / Doctor of Philosophy / Theoretical chemistry attempts to provide connections between the structure of molecules and their observable properties. One such family of observables are chiroptical properties, or the effect of the medium on the light which passes through it. These properties include the scattering, absorption and change in polarization of light. Light being classically an electromagnetic field, chiroptical properties can be derived by treating molecules quantum mechanically and the light classically. The prediction of chiroptical properties on computers using the principles of quantum mechanics is still a growing field, being very sensitive to the method used, and requiring considerations of factors such as conformations and anharmonic corrections. Matching experimental properties is an important step in the creation of a reliable method of predicting properties of systems in order to provide more information than can be obtained through experimental observation. This work begins by addressing the problem of matching experimentally obtained quantities. Our results show that current time-intensive methods still fall short in the matching of experimental data. Thus, we then move on to approximating a more robust but computationally expensive method in order to be able to use a more accurate method on a larger scale than is currently possible. On obtaining positive results for small test systems, we test the new method on larger systems, and explore possible improvements to its accuracy and efficiency.

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The data from Super Dual Auroral Radar Network (SuperDARN) radar and Cluster was used to investigate whether the processes observed by SuperDARN radar in the highlatitude ionosphere leads to the processes that take place in the magnetosphere. SuperDARN is a global network of high-frequency coherent-scatter radars operating in the northern and southern hemispheres and these radars are capable of observing backscatter from ionospheric irregularities. The Tsyganenko T96 field model was used to map the footprint of the Cluster spacecraft into the ionosphere. The SuperDARN radar data analysis software was used to generate time series, fi eld of view and convection plots. The data from Syowa South, Syowa East SuperDARN radars, Advance Composition Explorer (ACE) and Cluster spacecrafts was used in this study. Two events were found and discussed, an event on 09 August 2002 and another event on 30 September 2002. The SuperDARN radar and Cluster data for these events were compared. When a change in electric field was observed by Cluster, SuperDARN radar observed a change in the convection flow. There was a time delay between the change in the electric fi eld and the change in convection flow. / Thesis (M.Sc.)-University of KwaZulu-Natal, Westville, 2010.

The universe is a complex environment playing host to a plethora of macroscopic and microscopic processes. Understanding the interplay and evolution of such processes will help to shed light on the properties and evolution of the universe. The juxtaposition is that in order to study small scale effects one needs to observe large scale structure as the latter objects trace the history of our universe. Galaxy groups and clusters are the largest known objects in the universe and thus provide a means to probe the evolution of structure formation in the universe as well as the underlying cosmology. In this thesis we investigate how clusters observed through the Sunyaev-Zel’dovich (SZ) effect can be used to constrain cosmological models. In addition, we present the first results of the Atacama Cosmology Telescope (ACT), a mm-wave telescope measuring the small-scale microwave background anisotropy, and conclude with preliminary SZ cluster detection performed on the latest ACT sky maps. In the first part of this thesis we investigate the ability of high resolution cosmic microwave background (CMB) experiments to detect hot gas in the outer regions of nearby group halos. We construct two hot gas models for the halos; a simpler adiabatic formalism with the gas described by a polytropic equation of state, and a more general gas description which incorporates feedback effects in line with constraints from X-ray observations. We calculate the thermal Sunyaev- Zel’dovich (tSZ) signal in these halos and compare it to the sensitivities of upcoming and current tSZ survey experiments such as ACT, PLANCK and the South Pole Telescope (SPT). Through the application of a multi-frequency Wiener filter, we derive mass and redshift based tSZ detectability limits for the various experiments, incorporating effects of galactic and extragalactic foregrounds as well as the CMB. In this study we find that galaxy group halos with virial masses below 1014M. can be detected at z ~< 0.05 with the mass limit dropping to 3 − 4 × 1013M. at z ~< 0.01. Probing such halos with the tSZ effect allows one to map the hot gas in the outer regions, providing a means to constrain gas processes, such as feedback, as well as the distribution of baryons in the local universe. In the fourth chapter, we extend this analysis and determine the ability of ACT to constrain galactic feedback and star formation in clusters and groups using the tSZ effect. We present a new microwave deblender, which provides a means of extracting accurate halo fluxes and radial profiles from maps of the tSZ effect. Considering various surveys that could be performed by ACT, we use multi-frequency filtering on simulated sky maps to predict how well such surveys will constrain gas properties using a Fisher matrix analysis. We find that the current ACT survey will be unable to constrain any gas parameters. However, if ACT were to survey a smaller area then we will be able to constrain feedback. Furthermore, with greater sensitivity, we will be able to place interesting constraints on the gas feedback, and baryon and stellar fractions. The fifth chapter in this thesis concerns itself with the first results of the Atacama Cosmology Telescope Project. In this section we discuss the map-making method as well as telescope beam characterisation, an understanding of which is important in any subsequent map analyses. In addition, we present maps of eight clusters observed at 148 GHz via the SZ effect, and provide flux and signal to noise estimates of the clusters. In the final chapter we present a preliminary analysis of the latest 148 GHz ACT maps from the 2008 observing season. We study the sky maps using single frequency wiener filtering, allowing for CMB, dust and correlated noise contamination. To substantiate our results, we compare the number counts, recovered fluxes and sample purity from simulated sky maps. The compounding effects of CMB and correlated noise result in high contamination levels below a signal to noise ratio of 6, however our investigation shows that above 8¾ our cluster sample is ¼ 80% pure. A cluster list containing 44 detections, of which 8 are previously known, is also presented, along with a Table listing the candidate cluster positions and fluxes. The candidate cluster catalogue will be used for follow-up studies using optical and X-ray observations. / Thesis (Ph.D.)-University of KwaZulu-Natal, Westville, 2010.

Thesis (Ph. D.)--University of Missouri-Columbia, 1997. / Typescript. Vita. Includes bibliographical references (leaves 158-166). Also available on the Internet.