Assessment of density-functional tight-binding ionization potentials and electron affinities of molecules of interest for organic solar cells against first-principles GW calculations

  1. Darghouth, A.A.M.H.M.
  2. Casida, M.E.
  3. Taouali, W.
  4. Alimi, K.
  5. Ljungberg, M.P.
  6. Koval, P.
  7. Sánchez-Portal, D.
  8. Foerster, D.
Journal:
Computation

ISSN: 2079-3197

Year of publication: 2015

Volume: 3

Issue: 4

Pages: 616-656

Type: Article

DOI: 10.3390/COMPUTATION3040616 GOOGLE SCHOLAR lock_openOpen access editor

Sustainable development goals

Data source: Scopus