In small molecules, accuracy of the corrected energies can be similar to results from coupled cluster theory calculations.
Therefore, it cannot be used to correct wave-function-dependent quantities such as dipole moment, charge density and vibronic couplings.
Analytical gradients for Davidson corrections are in general not available in quantum chemistry programs.
As with other perturbative approaches, the Davidson correction is not reliable when the electronic structure of CISD and the reference Hartree–Fock wave functions are significantly different (i.e. when
This is especially the case in larger molecules, where contribution from higher than quadruple excitations becomes more significant.