The role of the natural transition orbital density in the S0 → S1 and S0 → S2 transitions of fulvene with next generation QTAIM

Liling Wang, Alireza Azizi, Tianlv Xu, Michael Filatov, Steven R. Kirk, Martin J. Paterson, Samantha Jenkins

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)
50 Downloads (Pure)
Original languageEnglish
Article number137556
JournalChemical Physics Letters
Early online date4 May 2020
Publication statusPublished - 16 Jul 2020


  • Excited state
  • Fulvene
  • Natural transition orbital

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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