Electron Dynamics animation of Tetraphenylporphyrin (TPP) and Zn-TPP dimers via TURBOMOLE & CrysX
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 Published On Jun 4, 2023

This is a visualization of the time-dependent differential electron density (excited density - ground state density) of TPP and Zn-TPP dimers under an intense laser pulse of intensity 1.5 TW/cm^2. We notice that there is very little coupling between the monomers thereby one should not expect a significant difference in the absorption or HHG spectra compared to the monomer case.

I created this scientific animation as a part of the following collaborative research article (open access):
Resonance Effect in Brunel Harmonic Generation in Thin Film Organic Semiconductors
https://onlinelibrary.wiley.com/doi/f...

The RT-TDDFT implementation within TURBOMOLE was utilized to propagate the electron density under an external electric field. The differential density .CUB files were saved at each time step and visualized via CrysX-3D Viewer to create the beautiful animation.

Check out the above article for more details.

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