J/MNRAS/466/1363ivo://CDS.VizieR/J/MNRAS/466/1363doi:10.26093/cds/vizier.74661363CDSPolyansky O.L.Kyuberis A.A.Lodi L.Tennyson J.Yurchenko S.N.,Ovsyannikov R.I.Zobov N.F.2024-08-17T20:17:37Z2017-01-26T08:23:32ZCDS support team

CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France

cds-question@unistra.fratomic-physicsHot line lists for two isotopologues of water, H_2_^18^O and H_2_^17^O, are presented. The calculations employ newly constructed potential energy surfaces (PES), which take advantage of a novel method for using the large set of experimental energy levels for H_2_^16^O to give high-quality predictions for H_2_^18^O and H_2_^17^O. This procedure greatly extends the energy range for which a PES can be accurately determined, allowing an accurate prediction of higher lying energy levels than are currently known from direct laboratory measurements. This PES is combined with a high-accuracy, ab initio dipole moment surface of water in the computation of all energy levels, transition frequencies and associated Einstein A coefficients for states with rotational excitation up to J=50 and energies up to 30000cm^-1^. The resulting HotWat78 line lists complement the well-used BT2 H_2_^16^O line list.2017MNRAS.466.1363Phttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/MNRAS/466/1363CatalogResearchIsServedByTAP VizieR generic servicerelated-toJ/MNRAS/425/34 : ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012)J/MNRAS/434/1469 : ExoMol line lists for SiO (Barton+, 2013)J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)J/MNRAS/440/1649 : ExoMol line lists for CH4 (Yurchenko+, 2014)J/MNRAS/442/1821 : ExoMol line list for KCl (Barton+, 2014)J/MNRAS/445/1383 : ExoMol line list for phosphorus nitride (PN) (Yorke+, 2014)J/MNRAS/446/2337 : ExoMol line lists for phosphine (PH_3_) (Sousa-Silva+, 2015J/MNRAS/448/1704 : ExoMol line lists for formaldehyde H_2_CO (Al-Refaie+, 2015J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)J/MNRAS/451/634 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)J/MNRAS/452/1702 : ExoMol line lists for HNO3 (Pavlyuchko+, 2015)J/MNRAS/454/1931 : ExoMol line lists for CS isotopologues (Paulose+, 2015)J/MNRAS/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)J/MNRAS/459/3890 : ExoMol line lists for SO2 (Underwood+, 2016)J/MNRAS/460/4063 : ExoMol line list for H2S AYT2 (Yurchenko+, 2016)J/MNRAS/461/1012 : ExoMol line lists for H216O2 (Al-Refaie+, 2016)J/MNRAS/463/771 : ExoMol. VO high-temperature spectrum (McKemmish+, 2016)https://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/MNRAS/466/1363https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/MNRAS/466/1363http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/MNRAS/466/1363https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/MNRAS/466/1363https://vizier.iucaa.in/viz-bin/votable?-source=J/MNRAS/466/1363http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/MNRAS/466/1363GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/MNRAS/466/1363/h2o-17Labelled rovibrational states of H2O-17recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintiEnergy level indexmeta.idEState energy in wavenumberscm**-1phys.energy;phys.atmol.leveldoubleGtotTotal state degeneracyphys.electron.degenintJRotational quantum numberphys.atmol.qn;phys.mol.rotationintKa? Asymmetric top quantum number (QN) -2 if not presentphys.atmol.qnintnullableKc? Asymmetric top QN; -2 if not presentphys.mol.qnintnullablev1? Symmetric stretch QN; -2 if not presentphys.mol.qnintnullablev2? Symmetric bend QN; -2 if not presentphys.mol.qnintnullablev3? Asymmetric stretch QN; -2 if not presentphys.mol.qnintnullableGA label indicating the total symmetry (C2v)meta.id;meta.maincharJ/MNRAS/466/1363/h2o-18Labelled rovibrational states of H2O-18recnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintiEnergy level indexmeta.idEState energy in wavenumberscm**-1phys.energy;phys.atmol.leveldoubleGtotTotal state degeneracyphys.electron.degenintJRotational quantum numberphys.atmol.qn;phys.mol.rotationintKa? Asymmetric top quantum number (QN) -2 if not presentphys.atmol.qnintnullableKc? Asymmetric top QN; -2 if not presentphys.mol.qnintnullablev1? Symmetric stretch QN; -2 if not presentphys.mol.qnintnullablev2? Symmetric bend QN; -2 if not presentphys.mol.qnintnullablev3? Asymmetric stretch QN; -2 if not presentphys.mol.qnintnullableGA label indicating the total symmetry (C2v)meta.id;meta.maincharJ/MNRAS/466/1363/h172o-pfPartition functions of H2O-17 in steps 1KrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintTTemperatureKphys.temperaturedoubleQPartition functionphys.atmoldoubleJ/MNRAS/466/1363/h182o-pfPartition functions of H2O-18 in steps 1KrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintTTemperatureKphys.temperaturedoubleQPartition functionphys.atmoldouble