Transport of solitons in trans-polyacetylene

✍ Scribed by G. P. Das; A. T. Yeates

• Publisher: John Wiley and Sons
• Year: 1996
• Tongue: English
• Weight: 499 KB
• Volume: 59
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1996)59:3<251::aid-qua8>3.0.co;2-x

✦ Synopsis

We employ a dynamical configuration interaction approach to study the transport of charge along the polyacetylene chain axis when placed in an external electric field. The steady-state wave function in this approach is constructed as a linear combination of solitonic wave functions weighted by nuclear vibrational functions. We retain the Born-Oppenheimer approximation, i.e., we neglect the terms involving the differentiation of the electronic configurations with respect to the nuclear coordinates. We also use basis functions that follow the nuclei. A solution of the time-dependent Schrodinger equation in terms of the wave functions of the above kind is obtained, leading to a closed formula for estimating mobilities of the soliton transport. 0 1996