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The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT

Boris Le Guennic, Siwar Chibani, Azzam Charaf-Eddin, Julien Massue, Raymond Ziessel, Gilles Ulrich, Denis Jacquemin

Phys. Chem. Chem. Phys., vol: 15, num: 20, 7534-7540, published: 28 May 2013,

   Atoms and molecules.
      Electronic shells of molecules.
         Energy states and transitions.
            Classification energy of states and transition frequencies.
               Poliatomic molecules.

   Atoms and molecules.
      Interaction of atoms and molecules with external fields and radiation.
         Transitions between electronic states.
            Lifetimes and transition probabilities for molecules.