Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline

Janus J. Eriksen, Stephan P.A. Sauer, Kurt V. Mikkelsen, Ove Christiansen, Hans Jørgen Aa. Jensen, Jacob Kongsted
  • Molecular Physics, May 2013, Taylor & Francis
  • DOI: 10.1080/00268976.2013.793841

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The following have contributed to this page: Dr Stephan P. A. Sauer and Professor Hans Jørgen Aagaard Jensen