Details
Title
Begusic, Tomislav
Sciper ID
256470
Affiliated labs
LCPT
Publications
Ab initio semiclassical evaluation of vibrationally resolved electronic spectra with thawed Gaussians
Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Su[...]
Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations
Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepack[...]
On-the-Fly ab initio Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules Reveals a Simple Mechanism of Decoherence
On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
Applicability of the Thawed Gaussian Wavepacket Dynamics to the Calculation of Vibronic Spectra of Molecules with Double-Well Potential Energy Su[...]
Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations
Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepack[...]
On-the-Fly ab initio Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules Reveals a Simple Mechanism of Decoherence
On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy
On-the-fly ab initio semiclassical evaluation of time-resolved electronic spectra
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
Semiclassical Approach to Photophysics Beyond Kasha’s Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene
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