.. _MULLIK:

``MULLIK``
==========

A full Mulliken Population
analysis [\ `41 <references.html#mullik1>`__,\ `42 <references.html#mullik2>`__]
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.

.. |$P_{ \\lambda\sigma} S_{\lambda\sigma}$| image:: img128.gif
   :width: 53px
   :height: 29px