Groundstate dispersion interaction between pi-conjugated polymers.
The line-dipole approximation is used to investigate the scaling of the groundstate dispersion interaction, EW, between parallel conjugated polymers of length L and transverse separation D. Both a second-order perturbation theory calculation using the Mott-Wannier exciton model of excited states and a semiclassical analysis of distributed dipoles indicate that at L approximately D there is a crossover from the point-dipole approximation result of EW approximately L2/D6 for L<<D to the thermodynamically expected result of EW approximately L/D5 for L>>D.
Barford
William
W
Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom. william.barford@chem.ox.ac.uk
Xu
Xibai
X