An analysis of the electron density distribution in the free and polarized H2O molecule as calculated in the local density approximation

The Xα version of the LD approximation has been applied to H2O, resulting in a dipole moment and dipole polarizability of CI quality when augmenting the basis set with d- and f-type polarization functions. The behavior of the electron density upon placing the molecule in a small external homogeneous electric field has been investigated and depicted in the form of difference density maps.