89 citations · 533 across the 17 of their papers we have counts for
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physics.chem-ph2018★ 58 cited
On-the-fly ab initio semiclassical evaluation of absorption spectra of polyatomic molecules beyond the Condon approximation
Aurélien Patoz, Tomislav Begušić, Jiří Vaníček
To evaluate vibronic spectra beyond the Condon approximation, we extend the on-the-fly ab initio thawed Gaussian approximation by considering the Herzberg-Teller contribution due t…
physics.chem-ph2018★ 40 cited
On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra
Tomislav Begušić, Julien Roulet, Jiří Vaníček
We present a methodology for computing vibrationally and time-resolved pump-probe spectra, which takes into account all vibrational degrees of freedom and is based on the combinati…