Methods for introducing vibrational effects in the calculation of electric dipole polarizabilities and hyperpolarizabilities (with reference to H⁺₂)

Abstract

Three different methods for taking into account nuclear motion while calculating molecular static dipole polarizabilities and hyperpolarizabilities are discussed. Within these methods both the purely variational and the variational-perturbational techniques are used to obtain numerical results for the α _zz and γ _zzzz polarizability components of the H⁺ ₂ molecular ion in its rovibronic ground state.

Additional information

Notes on contributors

David M. Bishop

Member of the Ottawa-Carleton Chemistry Institute.