Slater – Condon rules for integrals involving determinantal wave functions

 

Sometimes we need to evaluate matrix elements of one- and two-electron operators. The following rules are readily derived based on the properties of the determinants and orthonormality of the orbitals in them – try it!

 

Consider three functions,

 

 

Then,

 

1e-integrals:

 

 

 

(If the two determinants differ by more than one orbital, the integral is zero)

 

 

2e-integrals:

 

 

 

 

 

(If the two determinants differ by more than two orbitals, the integral is zero)