Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics

We examine the many open questions that arise for nonadiabatic dynamics in the presence of degenerate electronic states, e.g., for singlet-to-triplet intersystem crossing where a minimal Hamiltonian must include four states (two of which are always degenerate). In such circumstances, the standard su...

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Veröffentlicht in:	The Journal of chemical physics 2021-03, Vol.154 (11), p.110901-110901
Hauptverfasser:	Bian, Xuezhi, Wu, Yanze, Teh, Hung-Hsuan, Zhou, Zeyu, Chen, Hsing-Ta, Subotnik, Joseph E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Electron spin Electron states Physics Separation Spintronics
Online-Zugang:	Volltext
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