Bond length alternation effects on the static electronic polarizability and second hyperpolarizability of polyacetylene chains
- 1 January 1999
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 75 (4-5), 441-447
- https://doi.org/10.1002/(sici)1097-461x(1999)75:4/5<441::aid-qua10>3.0.co;2-b
Abstract
No abstract availableKeywords
This publication has 49 references indexed in Scilit:
- Nonlinear optical properties of quasilinear conjugated oligomers, polymers and organic moleculesInternational Reviews in Physical Chemistry, 1997
- Ab initio finite oligomer method for nonlinear optical properties of conjugated polymers. Hartree–Fock static longitudinal hyperpolarizability of polyacetyleneThe Journal of Chemical Physics, 1995
- Electronic structure of polyparaphenylene vinylene copolymers: The relationship to light-emitting characteristicsThe Journal of Chemical Physics, 1994
- Molecular gradients and hessians implemented in density functional theoryThe Journal of Chemical Physics, 1993
- Model calculations of polarizabilities of polyene chains: Oligomers and infinite polymersInternational Journal of Quantum Chemistry, 1990
- Analytical gradient of the linear combination of Gaussian-type orbitals—local spin density energyThe Journal of Chemical Physics, 1989
- Evolution of the electronic structure of polyacetylene and polythiophene as a function of doping level and lattice conformationPhysical Review B, 1988
- Structural properties of trans- and cis-(CH)xSynthetic Metals, 1987
- Optical properties of one-dimensional semiconductors and conjugated polymersPhysical Review B, 1977
- A Simplification of the Hartree-Fock MethodPhysical Review B, 1951