About: Calculation of argon trimer rovibrational spectrum

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 and to 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. 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 and to 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. (en) Výpočet rotačně-vibračního spektra trimeru argonu (cs)
Title	Calculation of argon trimer rovibrational spectrum Calculation of argon trimer rovibrational spectrum (en) Výpočet rotačně-vibračního spektra trimeru argonu (cs)
skos:prefLabel	Calculation of argon trimer rovibrational spectrum Calculation of argon trimer rovibrational spectrum (en) Výpočet rotačně-vibračního spektra trimeru argonu (cs)
skos:notation	RIV/61988987:17310/07:00000045!RIV07-MSM-17310___
http://linked.open.../vavai/riv/strany	174305
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(1N04125), P(GA203/04/2146)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Karlický, František Kalus, René
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ostravská univerzita v Ostravě / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	412507
http://linked.open...ai/riv/idVysledku	RIV/61988987:17310/07:00000045
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	argon; vibrational-rotational analysis; molecular spectra; hyperspherical methods (en)
http://linked.open.../riv/klicoveSlovo	argon hyperspherical methods vibrational-rotational analysis molecular spectra
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[805FA3F1A400]
http://linked.open...i/riv/nazevZdroje	The Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Centre of numerically demanding computations of the University of Ostrava. Modelling of helium ionic clusters: structure, spectra, thermodynamics, and dynamics
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	126
http://linked.open...iv/tvurceVysledku	Karlický, František Kalus, René Lepetit, Bruno Gadéa, F. X.
issn	0021-9606
number of pages	1 (xsd:int)
http://localhost/t...ganizacniJednotka	17310

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