Calculation of argon trimer rovibrational spectrum

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F07%3A00000096" target="_blank" >RIV/61988987:17310/07:00000096 - isvavai.cz</a>
Alternative codes found
RIV/61988987:17310/07:00000045
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Calculation of argon trimer rovibrational spectrum
Original language description
Rovibrational spectra of Ar3 are computed for total angular momenta up to J=6 using row-orthonormal hyperspherical coordinates and an expansion of the wave function on hyperspherical harmonics. The sensitivity of the spectra to the two-body potential andto the three-body corrections is analyzed. In addition, we define approximate quantum numbers to describe the vibration and rotation of the system. These quantum numbers provide a qualitative understanding of the spectra and, in particular, of the impact of the nuclear permutational symmetry of the system (bosonic with zero nuclear spin). Rotational constants are extracted from the spectra and are shown to be accurate only for the ground hyperangular mode.
Czech name
Výpočet rotačně-vibračního spektra trimeru argonu
Czech description
Výpočet rotačně-vibračního spektra trimeru argonu

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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