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)