- Why is size-consistency in an ab initio method considered more important than
variational behavior (MP2 is size-consistent but not variational)? - A common alternative to writing a Hartree–Fock wavefunction as an explicit
Slater determinant is to express it using apermutation operatorP^which
permutes (switches) electrons around in MOs. Examine the Slater determinant
for a two-electron closed-shell molecule, then try to rewrite the wavefunction
usingP^.
390 5 Ab initio Calculations