HTML version of Scripted 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
1 Often you want to find eigenstates
2 where operator H is diagonal with respect to basis set . However, this is usually impossible.
3 Often one knows that
4 for example, if the compound is ,then is the "free" Hamiltonian for isolated molecules
5 and is the interaction, i.e. the forces between atoms.
6 Simple states diagonalize , but will be nonzero for "most" i and j.

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