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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-335614
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.33561
Alternative Links zum Volltext:DOI
Zusammenfassung
We present the GW100 set. GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies. The quasi-particle energies of the highest-occupied molecular orbitals (HOMO) and lowest-unoccupied molecular orbitals (LUMO) are calculated for the GW100 set at the G(0)W(0)@PBE level ...
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