Scripted HTML version of Foils prepared 29 December 1996
Foil 14 Summary of Use of Full Matrices in Chemistry
From CPS615-Linear Programming and Whirlwind Full Matrix Discussion Delivered Lectures of CPS615 Basic Simulation Track for Computational Science -- 5 Decemr 96. byGeoffrey C. Fox * Secs 96.4
Eigenvalues/vectors - to find "bound states", "equilibrium states" - for example, using MOPAC
Equation Solutions - for reasons similar to those just discussed