10 citations · 10 across the 1 of their papers we have counts for
3 papers
physics.chem-ph2020★ 10 cited
On the preservation of coherence in the electronic wavepacket of a neutral and rigid polyatomic molecule
A. Csehi, P. Badankó, G. J. Halász +2
We present various types of reduced models including five vibrational modes and three electronic states for the pyrazine molecule in order to investigate the lifetime of electronic…
physics.chem-ph2020
Striking light-induced nonadiabatic fingerprint in the low-energy vibronic spectra of polyatomic molecules
Csaba Fábri, Benjamin Lasorne, Gábor J. Halász +2
Nonadiabaticity, i.e., the effect of mixing electronic states by nuclear motion, is a central phenomenon in molecular science. The strongest nonadiabatic effects arise due to the p…
physics.chem-ph2019
Diagnosis of two evaluation paths to density-based descriptors of molecular electronic transitions
Gabriel Breuil, Kaltrina Shehu, Elise Lognon +3
In this paper we discuss the reliability of two computational methods (numerical integration on Cartesian grids, and population analysis) used for evaluating scalar quantities rela…