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Excited states in polydiacetylene chains: A density matrix renormalization group study

Abstract:

We study theoretically polydiacetylene chains diluted in their monomer matrix. We employ the density matrix renormalization group method on finite chains to calculate the ground state and low-lying excitations of the corresponding Peierls-Hubbard-Ohno Hamiltonian which is characterized by the electron transfer amplitude t0 between nearest neighbors, by the electron-phonon coupling constant α, by the Hubbard interaction U, and by the long-range interaction V. We treat the lattice relaxation in...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.87.245116

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Gebhard, F More by this author
Journal:
PHYSICAL REVIEW B
Volume:
87
Issue:
24
Publication date:
2013-06-18
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:0c92508c-57be-4233-86da-726ca1713344
Source identifiers:
414629
Local pid:
pubs:414629
Language:
English

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