Second-order dispersion interactions in π-conjugated polymers.

We calculate the ground state and excited state second-order dispersion interactions between parallel π-conjugated polymers. The unperturbed eigenstates and energies are calculated from the Pariser-Parr-Pople model using CI-singles theory. Based on large-scale calculations using the molecular struct...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Barford, W, Paiboonvorachat, N, Yaron, D
Aineistotyyppi: Journal article
Kieli:English
Julkaistu: 2011