Solution of systems of nonlinear equations Final report

Algorithm and computer program of diagonal discrimination method for computing nonlinear and transcendental function

Application of A Distributed Nucleus Approximation In Grid Based Minimization of the Kohn-Sham Energy Functional

In the distributed nucleus approximation we represent the singular nucleus as smeared over a smallportion of a Cartesian grid. Delocalizing the nucleus allows us to solve the Poisson equation for theoverall electrostatic potential using a linear scaling multigrid algorithm.This work is done in the context of minimizing the Kohn-Sham energy functionaldirectly in real space with a multiscale approach. The efficacy of the approximation is illustrated bylocating the ground state density of simple one electron atoms and moleculesand more complicated multiorbital systems.Comment: Submitted to JCP (July 1, 1995 Issue), latex, 27pages, 2figure

A numerical method for oscillatory integrals with coalescing saddle points

The value of a highly oscillatory integral is typically determined asymptotically by the behaviour of the integrand near a small number of critical points. These include the endpoints of the integration domain and the so-called stationary points or saddle points -- roots of the derivative of the phase of the integrand -- where the integrand is locally non-oscillatory. Modern methods for highly oscillatory quadrature exhibit numerical issues when two such saddle points coalesce. On the other hand, integrals with coalescing saddle points are a classical topic in asymptotic analysis, where they give rise to uniform asymptotic expansions in terms of the Airy function. In this paper we construct Gaussian quadrature rules that remain uniformly accurate when two saddle points coalesce. These rules are based on orthogonal polynomials in the complex plane. We analyze these polynomials, prove their existence for even degrees, and describe an accurate and efficient numerical scheme for the evaluation of oscillatory integrals with coalescing saddle points

Minimum-fuel Attitude Control of a Rigid Body in Orbit by an Extended Method of Steepest-descent

Minimum fuel control of spacecraft in orbit using extended method of steepest descen