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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10491464" target="_blank" >RIV/00216208:11320/24:10491464 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=JTelZmXWeV" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=JTelZmXWeV</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.109.012803" target="_blank" >10.1103/PhysRevA.109.012803</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

<a href="/cs/project/GA19-20524S" target="_blank" >GA19-20524S: Atomové a molekulární procesy stimulované elektronem - vývoj ab initio metod</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical review A

ISSN

2469-9926

e-ISSN

2469-9934

Svazek periodika

109

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

14

Strana od-do

012803

Kód UT WoS článku

001158001200009

EID výsledku v databázi Scopus

2-s2.0-85182270047