Numerical Integration of Differential Equations and Large Linear Systems: Proceedings of two Workshops Held at the University of Bielefeld, Spring 1980 (Lecture Notes in Mathematics, 968)

Edited By Juergen Hinze. Includes Bibliographical References. 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