Publikace ÚTF

Nonlocal vibrational and dissociative-attachment dynamics in e- plus HNCO beyond a one-dimensional model

Trnka J.; Houfek K.; Čížek M.

We extend our previous calculations of the vibrational excitation and the dissociative electron attachment in the low -energy electron collisions with the HNCO molecule to include both stretching and bending modes in the motion of the hydrogen atom. These calculations confirm the assumption, made in our previous work, that the bending motion does not significantly alter the cross sections for the excitation of hydrogen stretching and dissociation. On the other hand, the extension of the model gives additional insight into the vibrational dynamics of the intermediate collision complex. We calculate the cross sections for the excitation of the hydrogen bending motion and we compare them with the recent experiments. The excitation curves for higher bending overtones show signs of interaction with the stretching motion. We also calculate the two-dimensional electron energy -loss spectrum within the model.
type:article
journal:Phys. Rev. A
volume:109
nr:1
pages:14
year:2024
month:1
link: https://doi.org/10.1103/PhysRevA.109.012803
grants:Electron-driven atomic and molecular processes - development of ab initio methods, GAČR 19-20524S; 2019-2021; hlavní řešitel: Martin Čížek
Klasická a kvantová reakční dynamika s odtržením elektronu; 2023; Hlavní řešitel: Jiří Táborský
files:
physreva.109.012803_trnka.houfek.cizek.pdf (2675.61 kB)

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