Electron-Molecule Col1isions: Quantitative Approaches, and the Legacy of Aaron Temkin

This article, on electron-molecule collisions, is dedicated to the legacy of my good friend and sometime collaborator, Aaron Temkin on his retirement from the NASA-Goddard Space Flight Center after many years of work at the highest intellectual level in the theoretical treatment of electron-atom and electron-molecule scattering. Aaron's contributions to the manner in which we think about electron-molecule collisions is clear to all of us who have worked in this field. I doubt that the great progress that has occurred in the computational treatment of such complex collision problems could have happened without these contributions. For a brief historical account, see the discussion of Temkin's contribution to electron-molecule scattering in the first article of this volume by Dr. A. K. Bhatia. In this article, I will concentrate on the application of the so called, non-adiabatic R-matrix theory, to vibrational excitation and dissociative attachment, although I will also present some results applying the Linear Algebraic and Kohn-Variational methods to vibrational excitation. As a starting point for almost all computationally effective approaches to electron-molecule collisions, is the fixed nuclei approximation. That is, one recognizes, just as one does with molecular bound states, that there is a separation of electronic(fast) and nuclear(s1ow) degrees of freedom. This separation makes it possible to "freeze" the nuclei in space, calculate the collision parameters for the frozen molecule and then, somehow to add back the vibrations and rotations. The manner in which this is done, depends on the details of the collision problem. It is the work of Aaron and a number of other researchers that has provided the guidance necessary to resolve these issues

Collective excitations of trapped Bose condensates in the energy and time domains

A time-dependent method for calculating the collective excitation frequencies and densities of a trapped, inhomogeneous Bose-Einstein condensate with circulation is presented. The results are compared with time-independent solutions of the Bogoliubov-deGennes equations. The method is based on time-dependent linear-response theory combined with spectral analysis of moments of the excitation modes of interest. The technique is straightforward to apply, is extremely efficient in our implementation with parallel FFT methods, and produces highly accurate results. The method is suitable for general trap geometries, condensate flows and condensates permeated with vortex structures.Comment: 6 pages, 3 figures small typos fixe

Critical-point scaling function for the specific heat of a Ginzburg-Landau superconductor

If the zero-field transition in high temperature superconductors such as YBa_2Cu_3O_7-\delta is a critical point in the universality class of the 3-dimensional XY model, then the general theory of critical phenomena predicts the existence of a critical region in which thermodynamic functions have a characteristic scaling form. We report the first attempt to calculate the universal scaling function associated with the specific heat, for which experimental data have become available in recent years. Scaling behaviour is extracted from a renormalization-group analysis, and the 1/N expansion is adopted as a means of approximation. The estimated scaling function is qualitatively similar to that observed experimentally, and also to the lowest-Landau-level scaling function used by some authors to provide an alternative interpretation of the same data. Unfortunately, the 1/N expansion is not sufficiently reliable at small values of N for a quantitative fit to be feasible.Comment: 20 pages; 4 figure

Dark soliton states of Bose-Einstein condensates in anisotropic traps

Dark soliton states of Bose-Einstein condensates in harmonic traps are studied both analytically and computationally by the direct solution of the Gross-Pitaevskii equation in three dimensions. The ground and self-consistent excited states are found numerically by relaxation in imaginary time. The energy of a stationary soliton in a harmonic trap is shown to be independent of density and geometry for large numbers of atoms. Large amplitude field modulation at a frequency resonant with the energy of a dark soliton is found to give rise to a state with multiple vortices. The Bogoliubov excitation spectrum of the soliton state contains complex frequencies, which disappear for sufficiently small numbers of atoms or large transverse confinement. The relationship between these complex modes and the snake instability is investigated numerically by propagation in real time.Comment: 11 pages, 8 embedded figures (two in color

Observing many body effects on lepton pair production from low mass enhancement and flow at RHIC and LHC energies

The $\rho$ spectral function at finite temperature calculated using the real-time formalism of thermal field theory is used to evaluate the low mass dilepton spectra. The analytic structure of the $\rho$ propagator is studied and contributions to the dilepton yield in the region below the bare $\rho$ peak from the different cuts in the spectral function are discussed. The space-time integrated yield shows significant enhancement in the region below the bare $\rho$ peak in the invariant mass spectra. It is argued that the variation of the inverse slope of the transverse mass ($M_T$) distribution can be used as an efficient tool to predict the presence of two different phases of the matter during the evolution of the system. Sensitivity of the effective temperature obtained from the slopes of the $M_T$ spectra to the medium effects are studied

Spectral method for the time-dependent Gross-Pitaevskii equation with a harmonic trap

We study the numerical resolution of the time-dependent Gross-Pitaevskii equation, a non-linear Schroedinger equation used to simulate the dynamics of Bose-Einstein condensates. Considering condensates trapped in harmonic potentials, we present an efficient algorithm by making use of a spectral Galerkin method, using a basis set of harmonic oscillator functions, and the Gauss-Hermite quadrature. We apply this algorithm to the simulation of condensate breathing and scissors modes.Comment: 23 pages, 5 figure

Numerical approximation of the Euler-Poisson-Boltzmann model in the quasineutral limit

This paper analyzes various schemes for the Euler-Poisson-Boltzmann (EPB) model of plasma physics. This model consists of the pressureless gas dynamics equations coupled with the Poisson equation and where the Boltzmann relation relates the potential to the electron density. If the quasi-neutral assumption is made, the Poisson equation is replaced by the constraint of zero local charge and the model reduces to the Isothermal Compressible Euler (ICE) model. We compare a numerical strategy based on the EPB model to a strategy using a reformulation (called REPB formulation). The REPB scheme captures the quasi-neutral limit more accurately

Highly anisotropic Bose-Einstein condensates: crossover to lower dimensionality

We develop a simple analytical model based on a variational method to explain the properties of trapped cylindrically symmetric Bose-Einstein condensates (BEC) of varying degrees of anisotropy well into regimes of effective one dimension (1D) and effective two dimension (2D). Our results are accurate in regimes where the Thomas-Fermi approximation breaks down and they are shown to be in agreement with recent experimental data.Comment: 4 pages, 2 figures; significantly more new material added; title and author-list changed due to changes in conten

Mean-field description of collapsing and exploding Bose-Einstein condensates

We perform numerical simulation based on the time-dependent mean-field Gross-Pitaevskii equation to understand some aspects of a recent experiment by Donley et al. on the dynamics of collapsing and exploding Bose-Einstein condensates of $^{85}$Rb atoms. They manipulated the atomic interaction by an external magnetic field via a Feshbach resonance, thus changing the repulsive condensate into an attractive one and vice versa. In the actual experiment they changed suddenly the scattering length of atomic interaction from positive to a large negative value on a pre-formed condensate in an axially symmetric trap. Consequently, the condensate collapses and ejects atoms via explosion. We find that the present mean-field analysis can explain some aspects of the dynamics of the collapsing and exploding Bose-Einstein condensates.Comment: 9 Latex pages, 10 ps and eps files, version accepted in Physical Review A, minor changes mad