Dynamical Corrections to the Physical Characteristics of Solitons in Polyacetylene
β Scribed by V. K. Fedyanin; V. A. Osipov; I. S. Stoyanova
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 448 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0370-1972
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π SIMILAR VOLUMES
We present calculations on the geometry of the first 'B. excited state in polyene chains ranging in length from 5 to 29 double bonds. Calculations are performed in the framework of a Hiickel Hamiltonian with bond-length-dependent transfer integrals and with o-bond compressibility and use the paramet
We have performed split valence ab initio Hartree-Fock calculations of the total binding energy, EB, of charged solitons to donor impurities in doped trans-polyacetylene. The total energy is calculated for a system with the soliton pinned to the impurity and for a system where the soliton is isolate