58 citations · 58 across the 2 of their papers we have counts for
3 papers
Equilibrium-nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy
Tomislav Begušić, Xuecheng Tao, Geoffrey A. Blake +1
Two-dimensional Raman and hybrid terahertz/Raman spectroscopic techniques provide invaluable insight into molecular structure and dynamics of condensed-phase systems. However, corr…
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…
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…