MULLIK

A full Mulliken Population analysis [41,42] is to be done on the final RHF wavefunction. This involves the following steps:
1.
The eigenvector matrix is divided by the square root of the overlap matrix, S.
2.
The Coulson-type density matrix, P, is formed.
3.
The overlap population is formed from $P_{ \lambda\sigma} S_{\lambda\sigma}$.
4.
Half the off-diagonals are added onto the diagonals.