The atomic orbitals of the topological atom

The effective atomic orbitals have been realized in the framework of Bader’s atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure

Kinetic Ising System in an Oscillating External Field: Stochastic Resonance and Residence-Time Distributions

Experimental, analytical, and numerical results suggest that the mechanism by which a uniaxial single-domain ferromagnet switches after sudden field reversal depends on the field magnitude and the system size. Here we report new results on how these distinct decay mechanisms influence hysteresis in a two-dimensional nearest-neighbor kinetic Ising model. We present theoretical predictions supported by numerical simulations for the frequency dependence of the probability distributions for the hysteresis-loop area and the period-averaged magnetization, and for the residence-time distributions. The latter suggest evidence of stochastic resonance for small systems in moderately weak oscillating fields.Comment: Includes updated results for Fig.2 and minor text revisions to the abstract and text for clarit

Symmetry Aspects in Nonrelativistic Multi-Scalar Field Models and Application to a Coupled Two-Species Dilute Bose Gas

We discuss unusual aspects of symmetry that can happen due to entropic effects in the context of multi-scalar field theories at finite temperature. We present their consequences, in special, for the case of nonrelativistic models of hard core spheres. We show that for nonrelativistic models phenomena like inverse symmetry breaking and symmetry non-restoration cannot take place, but a reentrant phase at high temperatures is shown to be possible for some region of parameters. We then develop a model of interest in studies of Bose-Einstein condensation in dilute atomic gases and discuss about its phase transition patterns. In this application to a Bose-Einstein condensation model, however, no reentrant phases are found.Comment: 8 pages, 1 eps figure, IOP style. Based on a talk given by R. O. Ramos at the QFEXT05 workshop, Barcelona, Spain, September 5-9, 2005. One reference was update

Universality in Glassy Low-Temperature Physics

We propose a microscopic translationally invariant glass model which exhibits two level tunneling systems with a broad range of asymmetries and barrier heights in its glassy phase. Their distribution is qualitatively different from what is commonly assumed in phenomenological models, in that symmetric tunneling systems are systematically suppressed. Still, the model exhibits the usual glassy low-temperature anomalies. Universality is due to the collective origin of the glassy potential energy landscape. We obtain a simple explanation also for the mysterious {\em quantitative} universality expressed in the unusually narrow universal glassy range of values for the internal friction plateau.Comment: 4 pages, 5 figures, uses RevTeX

Recent advances in hepatic transplantation at the University of Pittsburgh.

FK506 undoubtedly improved the survival advantage of hepatic allotransplantation. Hepatic-intestinal and multivisceral transplantation has also become a feasible therapy for patients with combined intestinal and liver failure. With better understanding of the immunologic and metabolic aspects of allo- and xenotransplantation, further clinical attempts to transplant animal organs to humans may be considered with the hope for a better outcome in the very near future

Helium mixtures in nanotube bundles

An analogue to Raoult's law is determined for the case of a 3He-4He mixture adsorbed in the interstitial channels of a bundle of carbon nanotubes. Unlike the case of He mixtures in other environments, the ratio of the partial pressures of the coexisting vapor is found to be a simple function of the ratio of concentrations within the nanotube bundle.Comment: 3 pages, no figures, submitted to Phys. Rev. Let