Time-dependent Kohn−Sham electron dynamics coupled with nonequilibrium plasmonic response via atomistic electromagnetic model

Computational modeling of plasmon-mediated molecular photophysical and photochemical behaviors can help us better understand and tune the bound molecular properties and reactivity and make better decisions to design and control nanostructures. However, computational investigations of coupled plasmon...

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Veröffentlicht in:	The Journal of chemical physics 2024-06, Vol.160 (21)
Hauptverfasser:	Huang, Xunkun, Zhang, Wenshu, Liang, WanZhen
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Decay rate Density functional theory Dynamics Edge effect Molecular properties Plasmonics Plasmons Quantum mechanics Real time Time dependence Time domain analysis
Online-Zugang:	Volltext
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