Abstract Structure and dynamics of electronic excited states of molecular systems is of
contemporary interest to understand a rich variety of processes ranging from molecular …

Employing the multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method in
conjunction with the multistate multimode vibronic coupling Hamiltonian model, we perform …

Full dimensional multilayer multiconfiguration time-dependent Hartree (ML-MCTDH)
calculations of the dynamics of the three difluorobenzene cationic isomers in five lowest …

The dynamics of pentafluorobenzene after femtosecond laser excitation to the optically
bright ππ* first excited electronic state have been investigated by femtosecond time-resolved …

Combined theoretical and experimental study of the valence, Rydberg, and ionic states of
chlorobenzene | The Journal of Chemical Physics | AIP Publishing Skip to Main Content …

We recently implemented our parallelized quantum-classical dynamical approach, known as
the Time-Dependent Discrete Variable Representation (TDDVR) method, which is applied to …

A theoretical study of the photoabsorption spectroscopy of hexafluorobenzene (HFBz) is
presented in this paper. The chemical effect due to fluorine atom substitution on the …

This study aims at finding fluorinated flavin derivatives with modified intersystem crossing
(ISC) and fluorescence properties. In total, photophysical properties of 8 derivatives were …

We report multimode vibronic coupling of the energetically low-lying electronic states of
phenol and pentafluorophenol in this article. First principles nuclear dynamics calculations …

The static and dynamic aspects of the T2⊗(e+ t2) Jahn–Teller coupling effects in the 2T2
electronic state of the AlH4 radical are investigated theoretically by probing the first …