Numerical Integration of Differential Equations and Large Linear Systems: Proceedings of two Workshops Held at the University of Bielefeld Spring 1980

Description

An overview of the techniques in use for solving the coupled equations of scattering theory....Pages 1-21 Weyl's theory for second order differential equations and its application to some problems in quantum chemistry....Pages 22-39 The discretization of continuous infinite sets of coupled ordinary linear differential equations: Application to the collision-induced dissociation of a diatomic molecule by an atom....Pages 40-52 Extraction of continuum properties from L 2 basis set matrix representations of the schrödinger equation: the sturm sequence polynomials and gauss quadrature....Pages 53-70 Approximate solution of schrödinger's equation for atoms....Pages 71-81 Numerical integration of linear inhomogeneous ordinary differential equations appearing in the nonadiabatic theory of small molecules....Pages 82-94 Computation of solenoidal (divergence-free) vector fields....Pages 95-113 Efficient solution of a nonlinear heat conduction problem by use of fast elliptic reduction and multigrid methods....Pages 114-148 Are the numerical methods and software satisfactory for chemical kinetics?....Pages 149-164 Optimization of nonlinear kinetic equation computation....Pages 165-189 Automatic detection and treatment of oscillatory and/or stiff ordinary differential equations....Pages 190-206 Characterization of non-linearly stable implicit Runge-Kutta methods....Pages 207-219 Compact deferred correction formulas....Pages 220-233 Solving odes in quasi steady state....Pages 234-245 A singular perturbations approach to reduced-order modeling and decoupling for large scale linear systems....Pages 246-255 Global codes for BVODEs and their comparison....Pages 256-268 Global error estimation in ordinary initial value problems....Pages 269-279 Lower bounds for the accuracy of linear multistep methods....Pages 280-291 Asymptotic error expansions and discrete newton methods for elliptic boundary value problems....Pages 292-300 The use of sparse matrix techniques in ode — Codes....Pages 301-309 On conjugate gradient methods for large sparse systems of linear equations....Pages 310-322 A preconditioned tchebycheff iterative solution method for certain large sparse linear systems with a non-symmetric matrix....Pages 323-333 On modified incomplete factorization methods....Pages 334-351 Solving large sparse linear systems arising in queuing problems....Pages 352-360 Large eigenvalue problems in quantum chemistry....Pages 361-369 Variational pseudo-gradient method for determination of m first eigenstates of a large real symmetric matrix....Pages 370-383 Simultaneous rayleigh-quotient iteration methods for large sparse generalized eigenvalue problems....Pages 384-398 Large sparse unsymmetric eigenvalue problems....Pages 399-412