Next: Energy Expression
Up: Introduction to HartreeFock
Previous: Slater Determinants
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

(11) 
and a twoelectron operator as

(12) 
Now we can write the electronic Hamiltonian much more simply, as

(13) 
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).
David Sherrill
20020530