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Jupyter notebooks and data used for research on the vibronic structure of Heptazine.

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HarrisonGoldwyn/modeling_TAHz_emission

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modeling_TAHz_emission

This repo contains notebooks fitting a displaced harmonic oscillator model to molecular emission spectra. By choosing the number of modes coupled to the electornic transition and inital guesses for the energy of the electornic transition, energy of vibrational modes, displacement, and a damping coefficent, the code will fit the model to experimental emission spectra. The primary notebooks are all titled Anda_Int_<r-group>_fast.ipynb. More details to come when this work get's published.

The bulk of the model calculations are done using modules within the 'misloc_package' package, which can be found as a seperate repo.

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Jupyter notebooks and data used for research on the vibronic structure of Heptazine.

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