Inelastic low-energy collisions of electrons with HeH+: Rovibrational excitation and dissociative recombination

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00506636" target="_blank" >RIV/61388955:_____/17:00506636 - isvavai.cz</a>

Result on the web

<a href="http://hdl.handle.net/11104/0297843" target="_blank" >http://hdl.handle.net/11104/0297843</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.4994921" target="_blank" >10.1063/1.4994921</a>

Result language

angličtina

Original language name

Inelastic low-energy collisions of electrons with HeH+: Rovibrational excitation and dissociative recombination

Original language description

Inelastic low-energy (0-1 eV) collisions of electrons with HeH+ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of ab initio multichannel quantum defect theory, the description of both processes is based on the Born-Oppenheimer quantum defects. The quantum defects were determined using the R-matrix approach in two different frames of reference: the center-of-charge and the center-of-mass frames. The results obtained in the two reference systems, after implementing the Fano-Jungen style rovibrational frame-transformation technique, show differences in the rate of convergence for these two different frames of reference. We find good agreement with the available theoretically predicted rotationally inelastic thermal rate coefficients. Our computed DR rate also agrees well with the available experimental results. Moreover, several computational experiments shed light on the role of rotational and vibrational excitations in the indirect DR mechanism that governs the low energy HeH+ dissociation process. While the rotational excitation is several orders of magnitude more probable process at the studied collision energies, the closed-channel resonances described by the high-n, rotationally excited neutral molecules of HeH contribute very little to the dissociation probability. But the situation is very different for resonances defined by the high-n, vibrationally excited HeH molecules, which are found to dissociate with approximately 90% probability. Published by AIP Publishing.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/LD14088" target="_blank" >LD14088: Theory and calculations of electron scattering for needs of nanolithography</a><br>

Continuities

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

Publication year

2017

Confidentiality

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

Name of the periodical

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

—

Volume of the periodical

147

Issue of the periodical within the volume

5

Country of publishing house

US - UNITED STATES

Number of pages

11

Pages from-to

054307

UT code for WoS article

000407292200015

EID of the result in the Scopus database

2-s2.0-85027331592