47 citations · 68 across the 7 of their papers we have counts for
7 papers
On-the-Fly Ab Initio Hagedorn Wavepacket Dynamics: Single Vibronic Level Fluorescence Spectra of Difluorocarbene
Zhan Tong Zhang, Máté Visegrádi, Jiří J. L. Vaníček
Hagedorn wavepackets have been used to compute single vibronic level (SVL) spectra efficiently in model harmonic potentials. To make the Hagedorn approach practical for realistic p…
Capturing anharmonic effects in single vibronic level fluorescence spectra using local harmonic Hagedorn wavepacket dynamics
Zhan Tong Zhang, Máté Visegrádi, Jiří J. L. Vaníček
Hagedorn wavepacket dynamics yields exact single vibronic level (SVL) fluorescence spectra in global harmonic models. To partially describe the effects of anharmonicity, important…
On Hagedorn wavepackets associated with different Gaussians
Jiří J. L. Vaníček, Zhan Tong Zhang
Hagedorn functions are carefully constructed generalizations of Hermite functions to the setting of many-dimensional squeezed and coupled harmonic systems. Wavepackets formed by su…
Simulating Molecular Single Vibronic Level Fluorescence Spectra with ab initio Hagedorn Wavepacket Dynamics
Zhan Tong Zhang, Jiří J. L. Vaníček
We present a practical, ab initio time-dependent method using Hagedorn wavepackets to efficiently simulate single vibronic level (SVL) fluorescence spectra of polyatomic molecules…
Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics
Zhan Tong Zhang, Jiří J. L. Vaníček
In single vibronic level (SVL) fluorescence experiments, the electronically excited initial state is also excited in one or several vibrational modes. Whereas computing all contrib…
Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics
Zhan Tong Zhang, Jiří J. L. Vaníček
We present a numerically exact approach for evaluating vibrationally resolved electronic spectra at finite temperatures using the coherence thermofield dynamics. In this method, wh…
Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
Antonio Prlj, Tomislav Begušić, Zhan Tong Zhang +7
Azulene is a prototypical molecule with an anomalous fluorescence from the second excited electronic state, thus violating Kasha's rule, and with an emission spectrum that cannot b…