Author

Jiří J. L. Vaníček

3 papers indexed here

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Preprint Oct 2026

Non-Perturbative Vibrational Excitation by Arbitrary Electric Fields from Classical Phase-Space Dynamics

We present a non-perturbative framework for the quantum treatment of vibrational excitation in molecular systems driven by electric fields with arbitrary time dependence. For harmonic potentials with linear dipole coupling, the field-induced dynamics is exactly described by a displaced coherent state, whose evolution i...

Sameernandan Upadhyayula, Jiří J. L. Vaníček · 0 citations

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 · 1 citation · ⚡1

Preprint Aug 2026

Nonzero-temperature vibronic spectra of polyatomic molecules from a zero-temperature classical trajectory

By combining coherence thermofield dynamics with the single-Hessian approximation, we enable simulations of low- to medium-resolution vibronic spectra of weakly anharmonic systems at nonzero temperatures, at negligible additional cost relative to zero-temperature calculations. Single-Hessian coherence thermofield Gauss...

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