S. Tretiak et al., CHEMICAL BONDING AND SIZE SCALING OF NONLINEAR POLARIZABILITIES OF CONJUGATED POLYMERS, Physical review letters, 77(22), 1996, pp. 4656-4659
Using sum rules for spectral moments of linear and nonlinear absorptio
n we show that the jth order off-resonant polarizabilities of polyacet
ylene chains scale as similar to j Delta(- j)N(j + 1)/(N + L)(j); N is
the number of carbon atoms, Delta the bond-length alternation, and L(
Delta) the exciton coherence size. This result is in excellent agreeme
nt with time-dependent Hartree-Fock calculations performed for chains
with up to 200 carbon atoms.