Ab initio coupled and uncoupled Hartree-Fock calculations of the polarizabilities of finite and infinite polyacetylene chains
- 13 March 1993
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 48 (S27) , 667-685
- https://doi.org/10.1002/qua.560480860
Abstract
No abstract availableKeywords
This publication has 57 references indexed in Scilit:
- Nonlinear optical properties of conjugated polymers from ab initio finite oligomer calculationsInternational Journal of Quantum Chemistry, 1992
- From uncoupled to coupled Hartree–Fock polarizabilities of infinite polymeric chains. Pariser–Parr–Pople applications to the polyacetylene chainsThe Journal of Chemical Physics, 1992
- Model calculations of polarizabilities of polyene chains: Oligomers and infinite polymersInternational Journal of Quantum Chemistry, 1990
- Static polarizability of interactingπelectrons in conjugated polymersPhysical Review B, 1989
- Variational–perturbational treatment for the polarizabilities of conjugated chains. I. Theory and linear-polarizabilities results for polyenesThe Journal of Chemical Physics, 1988
- Structural Dependence of the Longitudinal Electric Polarizability of Finite Polyene Chains : An Ab Initio StudyPublished by Springer Nature ,1985
- Polarizability calculations with the SCF method. I. Linear and dynamic polarizabilities of conjugated hydrocarbons and aromaticsThe Journal of Chemical Physics, 1979
- Calculation of linear and nonlinear electric susceptibilities of conjugated hydrocarbon chainsThe Journal of Chemical Physics, 1977
- Optical properties of one-dimensional semiconductors and conjugated polymersPhysical Review B, 1977
- Polarizabilities of long chain conjugated moleculesTransactions of the Faraday Society, 1952