Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation

Details Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation

2005-08-18

arxiv.org/abs/cond-mat/0508433v1

PHYSICAL REVIEW B 72, 212201 (2005)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 4 figs

Scientific paper

10.1103/PhysRevB.72.212201

We report accurate numerical studies of excited state orderings in long hypothetical pi-conjugated oligomers in which the hydrogen atoms of trans-polyacetylene are replaced with conjugated sidegroups, within modified Hubbard models. There exists a range of the bare Coulomb repulsion for which the excited state ordering is conducive to photoluminescence in the substituted systems, even as this ordering is opposite in the unsubstituted polyenes of the same lengths. Our work provides motivation to study real pi-conjugated polymers with transverse conjugation and small optical gaps.

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