The output is an N_AO x 2 Matrix where the first column contains the AO labels and the second column contains the populations.

The optional keyword populations can be set to "Mulliken" (default) or "Mulliken/meta-Lowdin".

The result depends upon the chosen molecule, method, and basis set among other options such as charge, spin, and symmetry.

Because the methods employ Maple cache tables, the procedure only computes the populations if they have not been previously computed by calling the method directly or indirectly through another property.

$\mathrm{with}\left(\mathrm{QuantumChemistry}\right)\:$

$\mathrm{mol}≔ \left[\left[''H''\, 0\, 0\, 0\right]\, \left[''F''\, 0\, 0\, 0.95\right]\right]\;$

$\mathrm{mol}≔\left[\left[''H''\,0\,0\,0\right]\,\left[''F''\,0\,0\,0.95000000\right]\right]$

$\mathrm{output}≔ \mathrm{Populations}\left(\mathrm{mol}\, \mathrm{method}\=\'\mathrm{HartreeFock}\'\right)\;$

$\mathrm{output}≔\left[\begin{array}{cc}''0\; H\; 1s''& 0.80520614\\ ''1\; F\; 1s''& 1.99911669\\ ''1\; F\; 2s''& 1.94765791\\ ''1\; F\; 2px''& 2.00000000\\ ''1\; F\; 2py''& 2.00000000\\ ''1\; F\; 2pz''& 1.24801926\end{array}\right]$