<p> This work is concerned with the calculation by means of many-particle perturbation theory of the lowest order corrections to the Random Phase Approximation (RPA) description of an interacting electron gas in its ground state. Expressions in terms of the dynamically screened coulomb interaction are obtained for the electron proper self-energy, the electron momentum distribution function, and the screening function. Techniques, which reduce computational labour to a manageable level, are developed for the practical evaluation of the required corrections. The numerical results are not conclusive but they indicate that when all corrections of the same order (in the screened interaction) are included, the expansion converges sufficiently rapidly that the results are valid in the range of metallic densities.</p> / Thesis / Doctor of Philosophy (PhD)

<P> Single crystals of Zn2P207 containing 0.1% by weight of manganese impurity or 0.04% by weight of copper impurity were studied by means of electron spin resonance techniques from room temperature up to about 200°c. </p> <P> The existence of a phase transition at about 132°C in Zn2P2O7 was confirmed and a new phase, existing between 132°C and 155°C was found. The space group of the unit cell in this phase was deduced from the esr measurements. The spin Hamiltonian parameters were measured in the three phases and a discussion of their significance in terms of current theories of the zero field splitting of the ground state of S-state ionsis given. </p> / Thesis / Doctor of Philosophy (PhD)

<p> An energy gap or "pseudogap", where there is spin pairing without phase coherence, has been observed in a number of unconventional superconductors that has been detected even above the superconducting transition. It has been proposed that this "pseudogap" region is intimately related to the appearance of high Tc superconductivity. Comparable spin gaps have been observed in a number of low dimensional quantum spin systems with a spin-singlet ground state. Therefore quantum magnets which show collective singlet ground states have been receiving much interest recently. </p> <p> As an example of these; CuGe03 is one of the few quasi-one dimensional magnetic insulators which displays a Spin-Peierls transition. This novel transition results from the coupling of the lattice with S=l/2 spin degrees of freedom to break transitional symmetry below some characteristic phase transition temperature, and a collective singlet magnetic ground state with a characteristic energy gap is observed. </p> <p> In my thesis I have studied the critical phenomena associated with the SpinPeierls transition which occurs in the inorganic compound Cul-xCdxGe03by means of Xray Scattering. I also conducted inelastic neutron scattering experiments and studied the temperature dependence of the singlet-triplet excitation of this system. I applied different theoretical methods to determine the best model describing the behavior observed for this material and compared the results with those obtained on the pure compound. </p> <p> There are few quasi two dimensional experimental examples of interacting dimers such as SrCu2(B03)2 which has been proposed as a realization of the Shastry-Sutherland model. This system has been modeled as Heisenberg spins in a square lattice with two exchange coupling constants of magnitudes J and J' along the diagonal and the edges of the lattice. Its ground state is known to be a collective singlet state. It is known theoretically that its ground state changes from a gapped singlet to a gapless antiferromagnetic state as a function of J/J'. Recently, subleading terms in the Hamiltonian have been considered, such as Dzyaloshinski-Moriya interactions, which are needed to understand the precise physical properties of this material. </p> <p> I performed high resolution, inelastic neutron scattering measurements on this material aim at clarifying the nature of the singlet-triplet excitation spectrum. The results revealed the dispersion relations along with the Q-dependence of the excitations. Finally, neutron powder diffraction measurements were also performed in order to investigate any possible structural phase transition in this material. </p> / Thesis / Master of Science (MSc)

No description available.

Este trabalho apresenta um estudo quantitativo e qualitativo de soluções positivas para o problema de Dirichlet para a equação de Hénon (P) { - \'DELTA\'u = \'Ix! POT. \' alpha\'\' \'IuI POT. p-2\' em B, u = sobre \\partial B, onde B é a bola unitária aberta de \'R POT. N\' centrada em zero e \'alpha\' > 0. É mostrado que para p \'> OU =\' \'2 AST\' \'IND. \'alpha\'\' = { \'SUP. 2(N + \'alpha)\' \' INF. N - 2\' ; N > 2, \"INFINITO\'; N = 1,2 \'2 AST\' = { \'SUP. 2N\' \'INF. N - 2\' ; N > 2, \'INFINITO\'; N = 1,2, o problema não tem solução não trivial. Em contrapartida, para 1 < p < \'2 AST\'.\' \'IND. \'alpha\'\' com p \'DIFERENTE DE\' 2, a existência de uma solução positiva radial é garantida. Além disso, é provado a unicidade de solução positiva no caso em que 1 < p < 2. Também são apresentados resultados sobre a existência de soluções ground state quando 2 < p < \'2 AST\'. Nesse intervalo, é mostrado que qualquer solução ground state exibe a simetria Schwarz folheada e, no caso em que \'alpha\' é suficientemente grande, é provado que qualquer solução ground state não é radialmente simétrica. Por fim, é apresentado um resultado sobre a existência de múltiplas soluções positivas / This work presents a quantitative and qualitative study of positive solutions for the Dirichlet problem for the Hénon equation (P) (P) { - \'DELTA\'u = \'Ix! POT. \' alpha\'\' \'IuI POT. p-2\' in B, u = 0 on \\partial B, where B is the unit open ball in \'R POT. N\' centered at zero and \'alpha\' \'> OR =\' 0. It is shown that for p \' > OR =\' \'2 AST\' \'IND. alpha\' = \'SUP. 2 (N + alpha)\' INF. N - 2, N > 2, \' INFINITY\'; N = 1, 2, \'2 AST\' = { \'SUP. .2N INF. N - 2 ; N > 2; 1; \' INFINITY\', N = 1, 2; the problem does not have nontrivial solution. In counterpart, for 1 < p < \' 2 AST\' \'IND. alpha\' with p \' DIFFERENT\' 2, the existence of radial positive solutions will be guaranteed. Moreover, the uniqueness of positive solution is guaranteed as long as 1 < p < 2. In addition, results on the existence of ground state solutions are presented in case 2 < p < \'2 AST\'. In this interval, it is proved that any ground state solution exhibits the Foliated Schwarz symmetry and, in case \'alpha\' is sufficiently large, it is shown that the no ground state solution is radially symmetric. This works ends with a result on the existence of multiple positive solutions

Este trabalho apresenta um estudo quantitativo e qualitativo de soluções positivas para o problema de Dirichlet para a equação de Hénon (P) { - \'DELTA\'u = \'Ix! POT. \' alpha\'\' \'IuI POT. p-2\' em B, u = sobre \\partial B, onde B é a bola unitária aberta de \'R POT. N\' centrada em zero e \'alpha\' > 0. É mostrado que para p \'> OU =\' \'2 AST\' \'IND. \'alpha\'\' = { \'SUP. 2(N + \'alpha)\' \' INF. N - 2\' ; N > 2, \"INFINITO\'; N = 1,2 \'2 AST\' = { \'SUP. 2N\' \'INF. N - 2\' ; N > 2, \'INFINITO\'; N = 1,2, o problema não tem solução não trivial. Em contrapartida, para 1 < p < \'2 AST\'.\' \'IND. \'alpha\'\' com p \'DIFERENTE DE\' 2, a existência de uma solução positiva radial é garantida. Além disso, é provado a unicidade de solução positiva no caso em que 1 < p < 2. Também são apresentados resultados sobre a existência de soluções ground state quando 2 < p < \'2 AST\'. Nesse intervalo, é mostrado que qualquer solução ground state exibe a simetria Schwarz folheada e, no caso em que \'alpha\' é suficientemente grande, é provado que qualquer solução ground state não é radialmente simétrica. Por fim, é apresentado um resultado sobre a existência de múltiplas soluções positivas / This work presents a quantitative and qualitative study of positive solutions for the Dirichlet problem for the Hénon equation (P) (P) { - \'DELTA\'u = \'Ix! POT. \' alpha\'\' \'IuI POT. p-2\' in B, u = 0 on \\partial B, where B is the unit open ball in \'R POT. N\' centered at zero and \'alpha\' \'> OR =\' 0. It is shown that for p \' > OR =\' \'2 AST\' \'IND. alpha\' = \'SUP. 2 (N + alpha)\' INF. N - 2, N > 2, \' INFINITY\'; N = 1, 2, \'2 AST\' = { \'SUP. .2N INF. N - 2 ; N > 2; 1; \' INFINITY\', N = 1, 2; the problem does not have nontrivial solution. In counterpart, for 1 < p < \' 2 AST\' \'IND. alpha\' with p \' DIFFERENT\' 2, the existence of radial positive solutions will be guaranteed. Moreover, the uniqueness of positive solution is guaranteed as long as 1 < p < 2. In addition, results on the existence of ground state solutions are presented in case 2 < p < \'2 AST\'. In this interval, it is proved that any ground state solution exhibits the Foliated Schwarz symmetry and, in case \'alpha\' is sufficiently large, it is shown that the no ground state solution is radially symmetric. This works ends with a result on the existence of multiple positive solutions

No description available.

The ubiquitous enzyme dUTPase hydrolyzes dUTP into dUMP and pyrophosphate, preventing DNA fragmentation and cell death due to accumulation of dUTP. Inhibitors of dUTPase could serve as drugs in the treatment of cancers and infectious diseases. This thesis presents five studies. A mutational study on the Escherichia coli dUTPase (S72A) provides new insights about the catalytic principles of the homotrimeric dUTPases. A model is presented in which transition state formation is associated with a rotation of the conserved Ser72 side chain. The model can explain the strict order of deamination and hydrolysis catalyzed by the bifunctional dCTP deaminase:dUTPases. The S72A/D90N double mutant is currently investigated. Preliminary data indicate that this form preserves the binding properties of the S72A mutant but is completely inactive, making it attractive for structural studies. In the remaining studies we compare the binding of substrate analogues to the human, the E. coli and the equine infectious anemia virus (EIAV) homotrimeric dUTPases. One study concerns 2´,3´-dideoxy-UTP (ddUTP) and shows that removal of the 3´-hydroxyl group increases KM, ten times with the cellular dUTPases and fifty times with the viral dUTPase, but does not affect kcat with any of these enzymes. Another study concerns the inhibitory effects of 3´-azido-2´,3´-dideoxy-UTP. This derivative binds to the bacterial dUTPase but not to the other forms making it a potential lead for the development of antibacterial dUTPase inhibitors. Yet another study investigates two uracil derivatives. Both compounds are found to inhibit the human, the bacterial but not the viral dUTPase. The inhibition is shown to be competitive.

Quantum mechanics is a theory developed to explain both particle and wave-like properties of small matter such as light and electrons. The consequences of the theory can be counter-intuitive but lead to mathematical and physical theory rich in fascinating phenomena and challenging questions. This dissertation investigates the nature of quantum systems in Bernoulli distributed random potentials for systems on the one dimensional lattice {0, 1, ..., L, L+1} ⊂ Z in the large system limit L → ∞. For single particle systems, the behavior of the low energy states is shown to be approximated by systems where positive potential is replaced by infinite potential. The approximate shape of these states is described, the asymptotics of their eigenvalues are calculated in the large system limit L → ∞, and a Lifschitz tail estimate on the sparsity of low energy states is proven. For interacting multi-particle systems, a Lieb-Liniger model with Bernoulli distributed potential is studied in the Gross-Pitaevskii approximation. First, to investigate localization in these settings, a general inequality is proven to bound from below the support of the mean-field. The bound depends on the per particle energy, number of particles, and interaction strength. Then, the ground state for the one-dimensional lattice with Bernoulli potential is studied in the large system limit. Specifically, the case where the product of interaction strength and particle density is near zero is considered to investigate whether localization can be recovered.

No description available.