Time dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene,anthracene,pyrene and perylene.

  • Hirata S. L
  • Head-Gordon M
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  • Time Dependent/Excitation energies/TDDFT/quantum c

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Authors

  • Lee T J Hirata S.

  • M Head-Gordon

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