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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Correlation effects in EOM-CCSD for the excited states: evaluated by AIM localization index (LI) and delocalization

Yi-Gui Wang1, Kenneth B Wiberg, Nick H Werstiuk

  • 1Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA. yi-gui.wang@yale.edu

The Journal of Physical Chemistry. A
|April 20, 2007
PubMed

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