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Author

Léa Zupan

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Preprint Aug 2026

Resonance Raman spectroscopy from ab initio Hagedorn wavepacket dynamics

We present a practical, ab initio time-dependent method using Hagedorn wavepackets to simulate resonance Raman (RR) spectra of polyatomic molecules. Hagedorn functions---Gaussians multiplied by specific polynomials---are used to represent RR initial and final states because these functions are exact solutions to the ti...

D. Barbiero, Léa Zupan, Jiří J. L. Vaníček · 0 citations

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