Singlet-triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin-flip methods

Over the last few years people have been interested in the process of singlet fission, owing to its relevance to solar cell technology. The energetics of singlet fission is intimately related to singlet-triplet (ST) gaps and energies of singlet excited states. However, accurate calculations of ST ga...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2015-04, Vol.17 (15), p.9849-9856
Hauptverfasser:	Ibeji, Collins U, Ghosh, Debashree
Format:	Artikel
Sprache:	eng
Schlagworte:	Correlation Electronics Energy gap Fission Ground state Mathematical analysis Orbitals Solar cells
Online-Zugang:	Volltext
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