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4Centre de Recherche en Electronique et Photonique Moléculaires

By S. Ramasesha, Swapan K. Pati, H. R. Krishnamurthy, Z. Shuai, J. L. Brédas, Service Chimie and Matériaux Nouveaux


We extend the density matrix renormalization group method to exploit Parity, C2 (rotation by π) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of this method by obtaining the lowest energy states in all the eight symmetry subspaces of Hubbard chains with upto 50 sites. The ground-state energy, optical gap and spin gap of regular U = 4t and U = 6t Hubbard chains agree very well with exact results. This development extends the scope of the DMRG method and allows future applications to study of optical properties of low-dimensional conjugated polymeric systems

Year: 1996
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