Within the celebrated Su-Schrieffer-Heeger model including electron-lattice and electron-
electron interactions, the electronic ground state of polyacene (n-acene) is studied as a …

The conformations and electronic structures of long oligoacenes [C 2 H 2 (C 4 H 2) n, 20⩽
n⩽ 23] and polyacene [(C 8 H 4) x] were theoretically investigated through density functional …

Abstract We investigate the Hartree-Fock ground state stability of linear polyacenes against
spin-wave distortions. It is predicted that linear polyacenes with very many rings have an …

We have carried out density-matrix renormalization group calculations on the ground state of
long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian. The PPP model …

We have studied polyacene within the Hubbard model to explore the effect of electron
correlations on the Peierls' instability in a system marginally away from one dimension. We …

As a model for organic ferromagnetism in a one-dimensional system, substituted
polyacetylenes are re-considered on the basis of the molecular orbital (MO) and the crystal …

We investigate the ground-state properties of polyacene in terms of an extended Peierls-
Hubbard Hamiltonian with particular emphasis on its structural instability of two types …

Spin-symmetry breaking appears in the DFT treatment of polyacenes, beyond a certain
length, the critical length depending on the exchange-correlation potential. This …

It is shown that infinite long polyacene chains may have three energetically close but
structurally distinct isomers (a symmetrical, sym, form and two lower symmetry forms: one …

Motivated from the flat-band form magnetism conceived in the physics of correlated
electrons; we predict that a polymer of five-membered rings can exhibit band (ie itinerant) …