Basic HTML version of Foils prepared 6 December 96

Foil 10 Summary of Use of Full Matrices in Chemistry

From Full Matrices - December 4, 1995 CPS615 Basic Simulation Track for Computational Science -- Fall Semester 95. by Geoffrey C. Fox, Nancy J. McCracken


1 Eigenvalues/vectors - to find "bound states", "equilibrium states" - for example, using MOPAC
2 Equation Solutions - for reasons similar to those just discussed
3 Multiplication to "change basis"

in Table To:


© on Tue Oct 7 1997