화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.256, 45-52, 1994
Lattice-Relaxation of Even-Parity Singlet Excited-States in Polyacetylene
We have carried out a theoretical study of the lattice relaxation of some low-lying even-parity singlet exited states in polyacetyelene. Both degenerate perturbation and strong coupling calcualtions give very similar results which indicate the relaxed configuration of the lowest A(g) state is a 4-soliton bound state, with a binding energy of about 0.05 eV against dissociation into four free neutral solitons. Experimental implications of the theoretical findings are discussed.