Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states

We present systematic comparison of three quantum mechanical approaches describing excitation dynamics in molecular complexes using the Time-Dependent variational principle (TDVP) with three increasing sophistication trial wavefunctions (ansatze): Davydov D2 , squeezed D2 (sqD2) and a numerically ex...

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Veröffentlicht in:	arXiv.org 2023-06
Hauptverfasser:	Mantas Jakučionis, Žukas, Agnius, Abramavičius, Darius
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption Coupling (molecular) Dimers Excitation Fluorescence Frequency shift Mathematical models Physics - Chemical Physics Quantum mechanics Simulation Spectra Temperature dependence Vibration mode Wave functions
Online-Zugang:	Volltext
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