Correlated Electronic Properties of a Graphene Nanoflake: Coronene

@article{Prodhan2019CorrelatedEP,
  title={Correlated Electronic Properties of a Graphene Nanoflake: Coronene},
  author={Suryoday Prodhan and Sumitendra Mazumdar and Sheela K. Ramasesha},
  journal={Molecules},
  year={2019},
  volume={24}
}
We report studies of the correlated excited states of coronene and substituted coronene within the Pariser–Parr–Pople (PPP) correlated π-electron model employing the symmetry-adapted density matrix renormalization group technique. These polynuclear aromatic hydrocarbons can be considered as graphene nanoflakes. We review their electronic structures utilizing a new symmetry adaptation scheme that exploits electron-hole symmetry, spin-inversion symmetry, and end-to-end interchange symmetry. The… 
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