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Now that we know the functional form for the wavefunction in HartreeFock
theory, let's reexamine the Hamiltonian to make it look as simple
as possible. In the process, we will bury some complexity that would
have to be taken care of later (in the evaluation of integrals).
We will define a oneelectron operator as follows

(32) 
and a twoelectron operator as

(33) 
Sometimes this is also called . Note that, in another
simplification, we have begun writing as shorthand for
, and as shorthand for
.
Now we can write the electronic Hamiltonian much more simply, as

(34) 
Since is just a constant for the fixed set of nuclear coordinates
, we will ignore it for now (it doesn't change the
eigenfunctions, and only shifts the eigenvalues).
Next: Matrix Elements of the
Up: intro_estruc
Previous: Slater Determinants
David Sherrill
20030807