A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4

In order to resolve a significant uncertainty in the heat of vaporization of silicon -- a fundamental parameter in gas-phase thermochemistry -- $\Delta H^\circ_{f,0}$[Si(g)] has been determined from a thermochemical cycle involving the precisely known experimental heats of formation of SiF_4(g) and F(g) and a benchmark calculation of the total atomization energy (TAE_0) of SiF_4 using coupled-cluster methods. Basis sets up to $[8s7p6d4f2g1h]$ on Si and $[7s6p5d4f3g2h]$ on F have been employed, and extrapolations for residual basis set incompleteness applied. The contributions of inner-shell correlation (-0.08 kcal/mol), scalar relativistic effects (-1.88 kcal/mol), atomic spin-orbit splitting (-1.97 kcal/mol), and anharmonicity in the zero-point energy (+0.04 kcal/mol) have all been explicitly accounted for. Our benchmark TAE_0=565.89 \pm 0.22 kcal/mol leads to $\Delta H^\circ_{f,0}$[Si(g)]=107.15 \pm 0.38 kcal/mol ($\Delta H^\circ_{f,298}$[Si(g)]=108.19 \pm 0.38 kcal/mol): between the JANAF/CODATA value of 106.5 \pm 1.9 kcal/mol and the revised value proposed by Grev and Schaefer [J. Chem. Phys. 97, 8389 (1992}], 108.1 \pm 0.5 kcal/mol. The revision will be relevant for future computational studies on heats of formation of silicon compounds.Comment: J. Phys. Chem. A, submitted Feb 1, 199

Issues Related to the Emergence of the Information Superhighway and California Societal Changes, IISTPS Report 96-4

The Norman Y. Mineta International Institute for Surface Transportation Policy Studies (IISTPS) at San José State University (SJSU) conducted this project to review the continuing development of the Internet and the Information Superhighway. Emphasis was placed on an examination of the impact on commuting and working patterns in California, and an analysis of how public transportation agencies, including Caltrans, might take advantage of the new communications technologies. The document reviews the technology underlying the current Internet “structure” and examines anticipated developments. It is important to note that much of the research for this limited-scope project was conducted during 1995, and the topic is so rapidly evolving that some information is almost automatically “dated.” The report also examines how transportation agencies are basically similar in structure and function to other business entities, and how they can continue to utilize the emerging technologies to improve internal and external communications. As part of a detailed discussion of specific transportation agency functions, it is noted that the concept of a “Roundtable Forum,” growing out of developments in Concurrent Engineering, can provide an opportunity for representatives from multiple jurisdictions to utilize the Internet for more coordinated decision-making. The report also included an extensive analysis of demographic trends in California in recent years, such as commute and recreational activities, and identifies how the emerging technologies may impact future changes

Classical solutions of sigma models in curved backgrounds by the Poisson-Lie T-plurality

Classical equations of motion for three-dimensional sigma-models in curved background are solved by a transformation that follows from the Poisson-Lie T-plurality and transform them into the equations in the flat background. Transformations of coordinates that make the metric constant are found and used for solving the flat model. The Poisson-Lie transformation is explicitly performed by solving the PDE's for auxiliary functions and finding the relevant transformation of coordinates in the Drinfel'd double. String conditions for the solutions are preserved by the Poisson-Lie transformations. Therefore we are able to specify the type of sigma-model solutions that solve also equations of motion of three dimensional relativistic strings in the curved backgrounds. Simple examples are given

Two-Dimensional Bosonization from Variable Shifts in the Path Integral

A method to perform bosonization of a fermionic theory in (1+1) dimensions in a path integral framework is developed. The method relies exclusively on the path integral property of allowing variable shifts, and does not depend on the explicit form of Greens functions. Two examples, the Schwinger model and the massless Thirring model, are worked out.Comment: 4 page

Decoherence in weak localization II: Bethe-Salpeter calculation of Cooperon

This is the second in a series of two papers (I and II) on the problem of decoherence in weak localization. In paper I, we discussed how the Pauli principle could be incorporated into an influence functional approach for calculating the Cooperon propagator and the magnetoconductivity. In the present paper II, we check and confirm the results so obtained by diagrammatically setting up a Bethe-Salpeter equation for the Cooperon, which includes self-energy and vertex terms on an equal footing and is free from both infrared and ultraviolet divergencies. We then approximately solve this Bethe-Salpeter equation by the Ansatz C(t) = C^0 (t) e^{-F(t)}, where the decay function F(t) determines the decoherence rate. We show that in order to obtain a divergence-free expression for the decay function F(t), it is sufficient to calculate C^1 (t), the Cooperon in the position-time representation to first order in the interaction. Paper II is independent of paper I and can be read without detailed knowledge of the latter.Comment: 18 pages, 3 figures. This is the second of a series of two papers on decoherence. The first introduces an influence functional approach, the second obtains equivalent results using a diagrammatic Bethe-Salpeter equation. For a concise summary of the main results and conclusions, see Section II of the first pape

Dynamical Phase Transitions In Driven Integrate-And-Fire Neurons

We explore the dynamics of an integrate-and-fire neuron with an oscillatory stimulus. The frustration due to the competition between the neuron's natural firing period and that of the oscillatory rhythm, leads to a rich structure of asymptotic phase locking patterns and ordering dynamics. The phase transitions between these states can be classified as either tangent or discontinuous bifurcations, each with its own characteristic scaling laws. The discontinuous bifurcations exhibit a new kind of phase transition that may be viewed as intermediate between continuous and first order, while tangent bifurcations behave like continuous transitions with a diverging coherence scale.Comment: 4 pages, 5 figure

Blowup of Jang's equation at outermost marginally trapped surfaces

The aim of this paper is to collect some facts about the blowup of Jang's equation. First, we discuss how to construct solutions that blow up at an outermost MOTS. Second, we exclude the possibility that there are extra blowup surfaces in data sets with non-positive mean curvature. Then we investigate the rate of convergence of the blowup to a cylinder near a strictly stable MOTS and show exponential convergence near a strictly stable MOTS.Comment: 15 pages. This revision corrects some typo

Comment on `conservative discretizations of the Kepler motion'

We show that the exact integrator for the classical Kepler motion, recently found by Kozlov ({\it J. Phys. A: Math. Theor.\} {\bf 40} (2007) 4529-4539), can be derived in a simple natural way (using well known exact discretization of the harmonic oscillator). We also turn attention on important earlier references, where the exact discretization of the 4-dimensional isotropic harmonic oscillator has been applied to the perturbed Kepler problem.Comment: 6 page