Validity of the Born-Oppenheimer approximation in the indirect-dissociative-recombination process
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00498445" target="_blank" >RIV/61388955:_____/18:00498445 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1103/PhysRevA.98.062706" target="_blank" >http://dx.doi.org/10.1103/PhysRevA.98.062706</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1103/PhysRevA.98.062706" target="_blank" >10.1103/PhysRevA.98.062706</a>
Alternative languages
Result language
angličtina
Original language name
Validity of the Born-Oppenheimer approximation in the indirect-dissociative-recombination process
Original language description
An alternative method is introduced to solve a simple two-dimensional model describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of freedom. The two-dimensional R matrix can be constructed simultaneously on the electronic and nuclear surfaces using all three forms developed previously for electron-atom and electron-molecule collisions. These are the eigenchannel R-matrix form, inversion technique of Nesbet and Robicheaux, and the Wigner-Eisenbud-type form using expansion over the poles of the symmetrized Hamiltonian. The 2D R-matrix method is employed to solve a simple model tailored to describe the dissociative recombination and the vibrational excitation of H2+ cation in the singlet ungerade symmetry 1Σu. These results then serve as a (near-exact) benchmark for the following calculation in which the R-matrix states are replaced by their Born-Oppenheimer approximations. The accuracy of this approach and its correction with the first-order nonadiabatic couplings are discussed.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA18-02098S" target="_blank" >GA18-02098S: Theory of Electron-Induced Decomposition of Molecules in Plasma and Nano-technology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review A
ISSN
2469-9926
e-ISSN
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Volume of the periodical
98
Issue of the periodical within the volume
DEC 2018
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
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UT code for WoS article
000452949300003
EID of the result in the Scopus database
2-s2.0-85058662863