An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra

Linear and nonlinear electronic spectra provide an important tool to probe the absorption and transfer of electronic energy. Here, we introduce a pure state Ehrenfest approach to obtain accurate linear and nonlinear spectra that is applicable to systems with large numbers of excited states and compl...

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Veröffentlicht in:	The Journal of chemical physics 2023-02, Vol.158 (7), p.074107-074107
Hauptverfasser:	Atsango, Austin O., Montoya-Castillo, Andrés, Markland, Thomas E.
Format:	Artikel
Sprache:	eng
Schlagworte:	Electronic spectra Excitation Excitons Initial conditions Spectrum analysis Time correlation functions
Online-Zugang:	Volltext
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