The basic optical properties of trans-(CH)x in the P21/n and the P21/a space groups are derived from first principles. The relevant optical matrix elements are calculated within the self-consistent linear muffin-tin-orbital band-structure method. The derived optical response functions are compared with the results from a variety of optical as well as electron-energy-loss experimental studies. It is shown that the measured optical constants are consistent with the P21/n structure.
Zemach, R.; Ashkenazi, J.; and Ehrenfreund, E., "Calculation of Optical Properties of trans-polyacetylene by the Linear Muffin-Tin-Orbital Method" (1989). Physics Articles and Papers. 36.