Using a symmetrized density matrix renormalization group formulation, we have investigated the electronic binding energy (Eb) of the lowest optically allowed exciton (1B) and the crossover behavior of the 1B/2A states within an extended Hubbard-Peierls model (with parameters U, V, and 5) for conjugated polymer chains with N=80. The Eb value is found to be around 0.1 eV for polyacetylene and 0.22–0.45 eV for PPV when considering a realistic range of parameters. The 1B/2A crossover behavior is investigated for a wide range of parameters
We describe a theory of linear optical transitions in conjugated polymers. The theory is based on th...
The density matrix renormalisation group (DMRG) method is a powerful computational technique for cal...
The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard...
Using a symmetrized density matrix renormalization group formulation, we have investigated the elect...
Using a symmetrized density-matrix renormalization-group formulation, we have investigated the e...
We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tig...
By applying the numerically accurate symmetrized density-matrix renormalization-group method cou...
Using the molecular-orbital model of conjugated polymers, a simple criterion for the relative orderi...
Starting from the Pariser-Parr-Pople theory of π-conjugated systems, we construct a model of the low...
The evolution with increasing Coulomb correlations of a semiconductor to a magnetic insulator is rel...
The evolution with increasing Coulomb correlations of a semiconductor to a magnetic insulator is...
Using a recently developed phenomenological Hamiltonian of poly(para-phenylene) and the density matr...
Symmetrized DMRG calculations on long oligomers of poly- para-phenylene (PPP) and poly-para-phenylen...
We study theoretically polydiacetylene chains diluted in their monomer matrix. We employ the density...
The two-state molecular orbital model of the one-dimensional phenyl-based semiconductors is applied ...
We describe a theory of linear optical transitions in conjugated polymers. The theory is based on th...
The density matrix renormalisation group (DMRG) method is a powerful computational technique for cal...
The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard...
Using a symmetrized density matrix renormalization group formulation, we have investigated the elect...
Using a symmetrized density-matrix renormalization-group formulation, we have investigated the e...
We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tig...
By applying the numerically accurate symmetrized density-matrix renormalization-group method cou...
Using the molecular-orbital model of conjugated polymers, a simple criterion for the relative orderi...
Starting from the Pariser-Parr-Pople theory of π-conjugated systems, we construct a model of the low...
The evolution with increasing Coulomb correlations of a semiconductor to a magnetic insulator is rel...
The evolution with increasing Coulomb correlations of a semiconductor to a magnetic insulator is...
Using a recently developed phenomenological Hamiltonian of poly(para-phenylene) and the density matr...
Symmetrized DMRG calculations on long oligomers of poly- para-phenylene (PPP) and poly-para-phenylen...
We study theoretically polydiacetylene chains diluted in their monomer matrix. We employ the density...
The two-state molecular orbital model of the one-dimensional phenyl-based semiconductors is applied ...
We describe a theory of linear optical transitions in conjugated polymers. The theory is based on th...
The density matrix renormalisation group (DMRG) method is a powerful computational technique for cal...
The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard...