Electronic Structure of LiH. V. A Radially Correlated Wave Function

The electronic energy and dipole moment of LiH have been calculated with valence-bond wave functions into which some radial correlation has been introduced by assigning different orbitals to different electrons. The energy as calculated from the radially correlated functions is 0.76 ev lower than from the corresponding uncorrelated functions. The calculated dipole moment agrees well with that obtained in previous calculations. Moffitt's concept of ``atoms in molecules'' is applied to the correlated and uncorrelated functions.