Extended PPP model: 21A and 13B states of polydiacetylene fragments

Z. G. Soos, S. Mazumdar, S. Kuwajima

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


Coulomb correlations between an extended π subsystem and localized π′ dimers are found for the 21A and 13B states of polydiacetylene (PDA) fragments. In contrast to the red shift and splitting found previously for dipole-allowed 1B excitations, π-π′ coupling blue shifts 21A and 13B but hardly affects the 13B fine structure constants. Pseudocovalent contributions to correlated states rationalize these results.

Original languageEnglish (US)
Pages (from-to)538-541
Number of pages4
JournalPhysica B+C
Issue number1-3
StatePublished - Nov 1986
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)

Cite this