Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27240%2F24%3A10253554" target="_blank" >RIV/61989100:27240/24:10253554 - isvavai.cz</a>
Nalezeny alternativní kódy
RIV/61989100:27740/24:10253554
Výsledek na webu
<a href="https://doi.org/10.1002/cphc.202300469" target="_blank" >https://doi.org/10.1002/cphc.202300469</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cphc.202300469" target="_blank" >10.1002/cphc.202300469</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study
Popis výsledku v původním jazyce
Cross-sections of state-to-state rotational transitions in electronically ground-state 14 (Formula presented.) (X2 (Formula presented.)) ions induced by collisions with 4He atoms have been calculated using a quasiclassical trajectory method and a set of artificial neural networks representing the (Formula presented.) /He potential energy surface. The training points for the neural networks have been calculated at a MCSCF (multi-configuration self-consistent field)/aug-cc-pVQZ level. A broad range of the (Formula presented.) /He collision energy has been considered ((Formula presented.) eV) and the efficiency of vibrational transitions in the (Formula presented.) ion has also been analyzed. It has been found that vibrational transitions are negligible with respect to rotational transitions up to (Formula presented.) eV and that above this energy, both rotational and vibrational transitions in (Formula presented.) are marginal in the (Formula presented.) /He collisions. (C) 2023 Wiley-VCH GmbH.
Název v anglickém jazyce
Rotational Transitions in the N2+ Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study
Popis výsledku anglicky
Cross-sections of state-to-state rotational transitions in electronically ground-state 14 (Formula presented.) (X2 (Formula presented.)) ions induced by collisions with 4He atoms have been calculated using a quasiclassical trajectory method and a set of artificial neural networks representing the (Formula presented.) /He potential energy surface. The training points for the neural networks have been calculated at a MCSCF (multi-configuration self-consistent field)/aug-cc-pVQZ level. A broad range of the (Formula presented.) /He collision energy has been considered ((Formula presented.) eV) and the efficiency of vibrational transitions in the (Formula presented.) ion has also been analyzed. It has been found that vibrational transitions are negligible with respect to rotational transitions up to (Formula presented.) eV and that above this energy, both rotational and vibrational transitions in (Formula presented.) are marginal in the (Formula presented.) /He collisions. (C) 2023 Wiley-VCH GmbH.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
10403 - Physical chemistry
Návaznosti výsledku
Projekt
—
Návaznosti
S - Specificky vyzkum na vysokych skolach
Ostatní
Rok uplatnění
2024
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
ChemPhysChem
ISSN
1439-4235
e-ISSN
1439-7641
Svazek periodika
25
Číslo periodika v rámci svazku
1
Stát vydavatele periodika
DE - Spolková republika Německo
Počet stran výsledku
12
Strana od-do
—
Kód UT WoS článku
001104707300001
EID výsledku v databázi Scopus
2-s2.0-85176553253