Abstract
A self-consistent calculation of the electronic structure is performed for a model polydiacetylene crystal by using the local density functional method. The wave function and the energy eigenvalues of excitons are calculated and the third order susceptibility is shown to be enhanced by the large oscillator strengths of the excitons. A mechanism of photo-isomerization of polydiacetylene crystals is proposed.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have