Scripted HTML version of Foils prepared 29 December 1996

Foil 9 Operations used with Hamiltonian operator

From CPS615-Linear Programming and Whirlwind Full Matrix Discussion Delivered Lectures of CPS615 Basic Simulation Track for Computational Science -- 5 Decemr 96. by Geoffrey C. Fox *
Secs 97.9
Often you want to find eigenstates
where operator H is diagonal with respect to basis set . However, this is usually impossible.
Often one knows that
for example, if the compound is ,then is the "free" Hamiltonian for isolated molecules
and is the interaction, i.e. the forces between atoms.
Simple states diagonalize , but will be nonzero for "most" i and j.



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