Indirect dissociative recombination of LiHe^{+} ions driven by vibrational Feshbach resonances

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F13%3A00388684" target="_blank" >RIV/61388955:_____/13:00388684 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1103/PhysRevA.87.012705" target="_blank" >http://dx.doi.org/10.1103/PhysRevA.87.012705</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.87.012705" target="_blank" >10.1103/PhysRevA.87.012705</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Indirect dissociative recombination of LiHe^{+} ions driven by vibrational Feshbach resonances

Popis výsledku v původním jazyce

We present ab initio calculations for the dissociative recombination rates of LiHe+ ions. The study involves first a realistic understanding of the electronic structure of the ion and neutral LiHe molecule and then carrying out the nuclear dynamics the system undergoes during the dissociation process. For the electronic part we employ R-matrix calculations to describe the situation of low-energy electrons scattered by LiHe+ ions. These results are further extended by additional quantum chemistry calculations of the higher Rydberg states of the neutral LiHe molecule as a compound state after the primary ionic interaction. We demonstrate that the two separate and independent results are smoothly connected via the use of Seaton's theorem. The subsequent motion of the nuclei is then incorporated via a rovibrational frame transformation based on the use of Siegert pseudostates. Finally, the resulting thermal dissociative recombination rates are shown for different initial states of the targ

Název v anglickém jazyce

Indirect dissociative recombination of LiHe^{+} ions driven by vibrational Feshbach resonances

Popis výsledku anglicky

We present ab initio calculations for the dissociative recombination rates of LiHe+ ions. The study involves first a realistic understanding of the electronic structure of the ion and neutral LiHe molecule and then carrying out the nuclear dynamics the system undergoes during the dissociation process. For the electronic part we employ R-matrix calculations to describe the situation of low-energy electrons scattered by LiHe+ ions. These results are further extended by additional quantum chemistry calculations of the higher Rydberg states of the neutral LiHe molecule as a compound state after the primary ionic interaction. We demonstrate that the two separate and independent results are smoothly connected via the use of Seaton's theorem. The subsequent motion of the nuclei is then incorporated via a rovibrational frame transformation based on the use of Siegert pseudostates. Finally, the resulting thermal dissociative recombination rates are shown for different initial states of the targ

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Physical Review. A

ISSN

1050-2947

e-ISSN

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Svazek periodika

87

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

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Kód UT WoS článku

000313422900007

EID výsledku v databázi Scopus

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