Bond contributions to molecular refractive indices and Verdet constants
- 1 January 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 31 (1) , 147-158
- https://doi.org/10.1080/00268977600100111
Abstract
The frequency-dependent polarizability of a molecule whose Hartree-Fock wavefunction can be written in terms of localized orbitals is shown to be the sum of bond and inner-shell orbital contributions. A variational procedure is used to find these contributions for the molecules methane, ethane, ethylene, acetylene, water and ammonia. Theoretical values of the refractive indices and Verdet constants for these molecules are obtained.Keywords
This publication has 21 references indexed in Scilit:
- The polarizabilities of CH and CC bondsThe Journal of Chemical Physics, 1975
- Uncoupled Hartree-Fock perturbation theory and the Pople-Schofield approximationThe Journal of Chemical Physics, 1974
- Aspects of Time-Dependent Perturbation TheoryReviews of Modern Physics, 1972
- Time-dependent self-consistent perturbation theory and applications to moleculesMolecular Physics, 1971
- The Schrödinger Two-Electron Atomic ProblemPublished by Elsevier ,1964
- Time-Dependent Variation-Perturbation Method for Many-Electron SystemsThe Journal of Chemical Physics, 1963
- A Variation-Perturbation Approach to the Interaction of Radiation with Atoms and MoleculesThe Journal of Chemical Physics, 1963
- Localized Atomic and Molecular OrbitalsReviews of Modern Physics, 1963
- Magnetic Susceptibility of Diatomic MoleculesThe Journal of Chemical Physics, 1963
- The polarisabilities of bonds—ITransactions of the Faraday Society, 1940