Vibrational contribution to molecular polarizabilities and hyperpolarizabilities
- 15 September 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (6) , 2899-2901
- https://doi.org/10.1063/1.440460
Abstract
The vibrational averaging theory of Kern and Matcha is extended, at the harmonic level of approximation, to the case where the molecular property under investigation can itself lead indirectly to a perturbation of the vibrational levels of the molecule. It is found that contributions arising from this perturbation can be significant, especially for molecular hyperpolarizabilities.Keywords
This publication has 13 references indexed in Scilit:
- Coupled Hartree-Fock calculations of molecular hyperpolarizabilitiesChemical Physics Letters, 1978
- Calculations of electric dipole hyperpolarizability of polyatomic moleculesChemical Physics Letters, 1976
- Nuclear corrections to molecular properties. IV. Theory for low-lying vibrational states of polyatomic molecules with application to the water molecule near the Hartree-Fock limitThe Journal of Chemical Physics, 1974
- A test of perturbation theory for determining anharmonic vibrational corrections to properties of diatomic moleculesMolecular Physics, 1972
- Zero-Point Vibrational Corrections to One-Electron Properties of the Water Molecule in the Near-Hartree—Fock LimitThe Journal of Chemical Physics, 1971
- Nuclear Corrections to Electronic Expectation Values: Zero-Point Vibrational Effects in the Water MoleculeThe Journal of Chemical Physics, 1968
- Self-Consistent Perturbation Theory. I. General Formulation and Some ApplicationsThe Journal of Chemical Physics, 1966
- Approximations to Hartree—Fock Perturbation TheoryThe Journal of Chemical Physics, 1966
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- Zur Quantentheorie der MolekelnAnnalen der Physik, 1927