On the computations of interatomic Coulombic decay widths with R-matrix method
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F17%3A10372302" target="_blank" >RIV/00216208:11320/17:10372302 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1063/1.4989538" target="_blank" >http://dx.doi.org/10.1063/1.4989538</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/1.4989538" target="_blank" >10.1063/1.4989538</a>
Alternative languages
Result language
angličtina
Original language name
On the computations of interatomic Coulombic decay widths with R-matrix method
Original language description
Interatomic Coulombic Decay (ICD) is a general mechanism in which an excited atom can transfer its excess energy to a neighbor which is thus ionized. ICD belongs to the family of Feshbach resonance processes, and, as such, states undergoing ICD are characterized by their energy width. In this work, we investigate the computations of ICD widths using the R-matrix method as implemented in the UKRmol package. Helium dimer is used here as a benchmark system. The results are compared with those obtained with the well established Fano-Algebraic Diagrammatic Construction method. It is shown that the R-matrix method in its present implementation provides accurate total and partial widths if the kinetic energy of the ICD electron is lower than 10 eV. Advantages and limitations of the R-matrix method on the computations of ICD widths are discussed. Published by AIP Publishing.
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
10300 - Physical sciences
Result continuities
Project
<a href="/en/project/GA17-10866S" target="_blank" >GA17-10866S: Properties of autoionizing states in atoms, molecules and clusters</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
146
Issue of the periodical within the volume
24
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
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UT code for WoS article
000404302600009
EID of the result in the Scopus database
2-s2.0-85021639178