Chemical Physics Letters, Vol.365, No.5-6, 450-456, 2002
Extension of the perturbed matrix method: application to a water molecule
In this Letter we extend the perturbed matrix method by explicitly including the nuclear degrees of freedom and showing how to treat a non-homogeneous electric field. In a previous Letter we showed that this method provides reliable perturbed energies. In the present Letter we evaluate a more sophisticated property such as molecular polarizability for a water molecule. (C) 2002 Elsevier Science B.V. All rights reserved.