A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

This Perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light–matter states. To tackle this complexity, the importance of ab initio methods is highlighted. Based on those, novel ideas and resear...

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Veröffentlicht in:	The Journal of chemical physics 2022-06, Vol.156 (23), p.230901-230901
Hauptverfasser:	Sidler, Dominik, Ruggenthaler, Michael, Schäfer, Christian, Ronca, Enrico, Rubio, Angel
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical reactions Chemistry Complexity Coupling (molecular) Density functional theory Depolarization Equilibrium Molecular dynamics Physics Resonance
Online-Zugang:	Volltext
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