Comment on the electronic structure of polydiacetylenes
β Scribed by David R. Yarkony
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 672 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The ground-state band structure of polydiacetylenes is theoretically studied with the extensional Su-Schriffer-Heeger model supplemented by electron-electron interactions. The results show the following. First, the interval of valence bands (conduction bands) increases because of the electron-electr
Energies per unit cell for various polydiacetylene backbone sequences are determined. The unrestricted Hartree-Fock ap-proa& is used to obtam the lowest energy transitions. Recently a great deal of interest has been centered on polydiacetylene @'DA) crystals since they are the only conjugated organi
Calculations arc rcportcd of the clcctronic band structure of model polydiacctylcnc extcndcd chains, with the lake side groups rcprcscntcd by II or C=C-H, using the cxtcndcd MuLkcl llncar combmation of atomic orbit& approximation. PCCdictcd band gap widths arc in good aprccmcnt with the results of a