Formation of CO+ by radiative association

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F19%3A10405018" target="_blank" >RIV/00216208:11320/19:10405018 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Y_trn1wcHp" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Y_trn1wcHp</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1093/mnras/stz2354" target="_blank" >10.1093/mnras/stz2354</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Formation of CO+ by radiative association

Popis výsledku v původním jazyce

We theoretically estimate formation rate coefficients for CO+ through the radiative association of C+(P-2) with O(P-3). In 1989, Petuchowski et al. claimed radiative association to be the most important route for CO+ formation in SN 1987A. In 1990, Dalgarno, Du and You challenged this claim. Therefore, in this study, we improve previous estimates of the radiative association rate coefficients for forming CO+ from C+(P-2) and O(P-3). To do this, we perform quantum mechanically based perturbation theory calculations as well as semiclassical calculations, which are combined with Breit-Wigner theory in order to add the effect of shape resonances. We explicitly include four electronic transitions. The required potential energy and transition dipole-moment curves are obtained through large basis set multireference configuration interaction electronic structure calculations. We report cross-sections and from these we obtain rate coefficients in the range of 10-10 000 K, finding that the CO+ formation rate coefficient is larger than the previous estimate by Dalgarno et al. Still our results support their claim that in SN 1987A, CO is mainly formed through radiative association and not through the charge transfer reaction CO+ + O -&gt; CO + O+ as earlier suggested by Petuchowski et al.

Název v anglickém jazyce

Formation of CO+ by radiative association

Popis výsledku anglicky

We theoretically estimate formation rate coefficients for CO+ through the radiative association of C+(P-2) with O(P-3). In 1989, Petuchowski et al. claimed radiative association to be the most important route for CO+ formation in SN 1987A. In 1990, Dalgarno, Du and You challenged this claim. Therefore, in this study, we improve previous estimates of the radiative association rate coefficients for forming CO+ from C+(P-2) and O(P-3). To do this, we perform quantum mechanically based perturbation theory calculations as well as semiclassical calculations, which are combined with Breit-Wigner theory in order to add the effect of shape resonances. We explicitly include four electronic transitions. The required potential energy and transition dipole-moment curves are obtained through large basis set multireference configuration interaction electronic structure calculations. We report cross-sections and from these we obtain rate coefficients in the range of 10-10 000 K, finding that the CO+ formation rate coefficient is larger than the previous estimate by Dalgarno et al. Still our results support their claim that in SN 1987A, CO is mainly formed through radiative association and not through the charge transfer reaction CO+ + O -&gt; CO + O+ as earlier suggested by Petuchowski et al.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10308 - Astronomy (including astrophysics,space science)

Projekt

<a href="/cs/project/GA15-10267S" target="_blank" >GA15-10267S: Molekulární procesy ve vesmíru</a><br>

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Monthly Notices of the Royal Astronomical Society

ISSN

0035-8711

e-ISSN

—

Svazek periodika

489

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

2954-2960

Kód UT WoS článku

000489298100109

EID výsledku v databázi Scopus

2-s2.0-85075180066