On the ground electronic states of copper silicide and its ions

The low-lying electronic states of SiCu, SiCu^+, and SiCu^− have been studied using a variety of high-level ab initio techniques. As expected on the basis of simple orbital occupancy and bond forming for Si(s^2p^2)+Cu(s^1) species, ^2Π_r, ^1Σ^+, and ^3Σ^− states were found to be the ground electronic states for SiCu, SiCu^+, and SiCu^−, respectively; the ^2Π_r state is not that suggested in most recent experimental studies. All of these molecules were found to be quite strongly bound although the bond lengths, bond energies, and harmonic frequencies vary slightly among them, as a result of the nonbonding character of the 2π-MO (molecular orbital) [composed almost entirely of the Si 3p-AO (atomic orbital)], the occupation of which varies from 0 to 2 within the ^1Σ^+, ^2Π_r, and ^3Σ^− series. The neutral SiCu is found to have bound excited electronic states of ^4Σ^−, ^2Δ, ^2Σ^+, and ^2Π_i symmetry lying 0.5, 1.2, 1.8, and 3.2 eV above the ^2Π_r ground state. It is possible but not yet certain that the ^2Π_i state is, in fact, the “B state” observed in the recent experimental studies by Scherer, Paul, Collier, and Saykally

An experimental investigation of two large annular diffusers with swirling and distorted inflow

Two annular diffusers downstream of a nacelle-mounted fan were tested for aerodynamic performance, measured in terms of two static pressure recovery parameters (one near the diffuser exit plane and one about three diameters downstream in the settling duct) in the presence of several inflow conditions. The two diffusers each had an inlet diameter of 1.84 m, an area ratio of 2.3, and an equivalent cone angle of 11.5, but were distinguished by centerbodies of different lengths. The dependence of diffuser performance on various combinations of swirling, radially distorted, and/or azimuthally distorted inflow was examined. Swirling flow and distortions in the axial velocity profile in the annulus upstream of the diffuser inlet were caused by the intrinsic flow patterns downstream of a fan in a duct and by artificial intensification of the distortions. Azimuthal distortions or defects were generated by the addition of four artificial devices (screens and fences). Pressure recovery data indicated beneficial effects of both radial distortion (for a limited range of distortion levels) and inflow swirl. Small amounts of azimuthal distortion created by the artificial devices produced only small effects on diffuser performance. A large artificial distortion device was required to produce enough azimuthal flow distortion to significantly degrade the diffuser static pressure recovery

Manifestation of Quantum Chaos in Electronic Band Structures

We use semiconductors as an example to show that quantum chaos manifests itself in the energy spectrum of crystals. We analyze the {\it ab initio} band structure of silicon and the tight-binding spectrum of the alloy $Al_xGa_{1-x}As$, and show that some of their statistical properties obey the universal predictions of quantum chaos derived from the theory of random matrices. Also, the Bloch momenta are interpreted as external, tunable, parameters, acting on the reduced (unit cell) Hamiltonian, in close analogy to Aharonov-Bohm fluxes threading a torus. They are used in the investigation of the parametric autocorrelator of crystal velocities. We find that our results are in good agreement with the universal curves recently proposed by Simons and coworkers.Comment: 15 pages with 6 Postscript figures included, RevTex-3, CMT-ERM/940

A Brownian Motion Model of Parametric Correlations in Ballistic Cavities

A Brownian motion model is proposed to study parametric correlations in the transmission eigenvalues of open ballistic cavities. We find interesting universal properties when the eigenvalues are rescaled at the hard edge of the spectrum. We derive a formula for the power spectrum of the fluctuations of transport observables as a response to an external adiabatic perturbation. Our formula correctly recovers the Lorentzian-squared behaviour obtained by semiclassical approaches for the correlation function of conductance fluctuations.Comment: 19 pages, written in RevTe

Exact Dynamical Correlation Functions of Calogero-Sutherland Model and One-Dimensional Fractional Statistics

One-dimensional model of non-relativistic particles with inverse-square interaction potential known as Calogero-Sutherland Model (CSM) is shown to possess fractional statistics. Using the theory of Jack symmetric polynomial the exact dynamical density-density correlation function and the one-particle Green's function (hole propagator) at any rational interaction coupling constant $\lambda = p/q$ are obtained and used to show clear evidences of the fractional statistics. Motifs representing the eigenstates of the model are also constructed and used to reveal the fractional {\it exclusion} statistics (in the sense of Haldane's ``Generalized Pauli Exclusion Principle''). This model is also endowed with a natural {\it exchange } statistics (1D analog of 2D braiding statistics) compatible with the {\it exclusion} statistics. (Submitted to PRL on April 18, 1994)Comment: Revtex 11 pages, IASSNS-HEP-94/27 (April 18, 1994

Quasi-discrete microwave solitons in a split ring resonator-based left-handed coplanar waveguide

We study the propagation of quasi-discrete microwave solitons in a nonlinear left-handed coplanar waveguide coupled with split ring resonators. By considering the relevant transmission line analogue, we derive a nonlinear lattice model which is studied analytically by means of a quasi-discrete approximation. We derive a nonlinear Schr{\"o}dinger equation, and find that the system supports bright envelope soliton solutions in a relatively wide subinterval of the left-handed frequency band. We perform systematic numerical simulations, in the framework of the nonlinear lattice model, to study the propagation properties of the quasi-discrete microwave solitons. Our numerical findings are in good agreement with the analytical predictions, and suggest that the predicted structures are quite robust and may be observed in experiments

Green Function of the Sutherland Model with SU(2) internal symmetry

We obtain the hole propagator of the Sutherland model with SU(2) internal symmetry for coupling parameter $\beta=1$, which is the simplest nontrivial case. One created hole with spin down breaks into two quasiholes with spin down and one quasihole with spin up. While these elementary excitations are energetically free, the form factor reflects their anyonic character. The expression for arbitrary integer $\beta$ is conjectured.Comment: 13pages, Revtex, one ps figur

Traveling through potential energy landscapes of disordered materials: the activation-relaxation technique

A detailed description of the activation-relaxation technique (ART) is presented. This method defines events in the configurational energy landscape of disordered materials, such as a-Si, glasses and polymers, in a two-step process: first, a configuration is activated from a local minimum to a nearby saddle-point; next, the configuration is relaxed to a new minimum; this allows for jumps over energy barriers much higher than what can be reached with standard techniques. Such events can serve as basic steps in equilibrium and kinetic Monte Carlo schemes.Comment: 7 pages, 2 postscript figure

Resonance Lifetimes from Complex Densities

The ab-initio calculation of resonance lifetimes of metastable anions challenges modern quantum-chemical methods. The exact lifetime of the lowest-energy resonance is encoded into a complex "density" that can be obtained via complex-coordinate scaling. We illustrate this with one-electron examples and show how the lifetime can be extracted from the complex density in much the same way as the ground-state energy of bound systems is extracted from its ground-state density