J/MNRAS/461/1012ivo://CDS.VizieR/J/MNRAS/461/1012doi:10.26093/cds/vizier.74611012CDSAl-Refaie A.F.Polyansky O.L.Tennyson J.Yurchenko S.N.2024-08-16T20:17:40Z2016-07-08T15:58:17ZCDS support team

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

cds-question@unistra.fratomic-physicsA computed line list for hydrogen peroxide, H_2_^16^O_2_, applicable to temperatures up to T=1250K is presented. A semi-empirical high accuracy potential energy surface is constructed and used with an ab initio dipole moment surface as input TROVE to compute 7.5 million rotational-vibrational states and around 20 billion transitions with associated Einstein-A coefficients for rotational excitations up to J=85. The result- ing APTY line list is complete for wavenumbers below 6000cm^-1^ (wavelength <1.67um) and temperatures up to 1250K. Room-temperature spectra are compared with laboratory measurements and data currently available in the HITRAN database and literature. Our rms with line positions from the literature is 0.152cm^-1^ and our absolute intensities agree better than 10%.2016MNRAS.461.1012Ahttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/MNRAS/461/1012CatalogResearchIsServedByTAP 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+, 2015)J/MNRAS/448/1704 : ExoMol line lists for formaldehyde H_2_CO (Al-Refaie+, 2015)J/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/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)https://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/MNRAS/461/1012https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/MNRAS/461/1012http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/MNRAS/461/1012https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/MNRAS/461/1012https://vizier.iucaa.in/viz-bin/votable?-source=J/MNRAS/461/1012http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/MNRAS/461/1012GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapdefaultJ/MNRAS/461/1012/h2o20-85Labelled rovibrational states (h2o2_0-85.dat)iState ID, non-negative integer index, starting at 1meta.idprimaryEState energy term value in cm-1cm**-1phys.energy;phys.atmol.leveldoublegTotal state degeneracyphys.atmol.oscStrengthintJ[0/85] J-quantum number J$ is the total angular momentum excluding nuclear spinmeta.number;phys.atmol.sWeight.nuclearintL? Lifetime in seconds (1)stime.lifetimedoublenullableG[1/8] Total symmetry in D_2h_(M), Gamma = A_1g_,A_1u_,B_1g_,B_1u_,B_2g_,B_2u_,B_3g_,B_3u_phys.atmol.parityintv1[0/10] normal mode vibrational quantum numberphys.mol.qnintv2[0/14] normal mode vibrational quantum numberphys.mol.qnintv3[0/14] normal mode vibrational quantum numberphys.mol.qnintv4[0/10] torsional excitation quantum numberphys.atmol.qnintv5[0/10] normal mode vibrational quantum numberphys.atmol.qn;phys.mol.vibrationintv6[0/14] normal mode vibrational quantum numberphys.atmol.qn;phys.mol.vibrationintt[0/10] torsional symmetry numbermeta.number;phys.atmol.numberintGv[1/8] D_2h_(M) vi. symmetry Gamma(v) (local mode)phys.atmol.parityintK[0/70] Projection of J on axis of molec. symmetryphys.atmol.parityintPr[0/1] Rotational parityphys.atmol.parityintGr[1/8] D_2h_(M) rot. symmetry Gamma(v) (local mode)phys.atmol.parityintN(Bl)[1/67238] Reference number in the polyadmeta.id;meta.mainintC2[0.0/1.00] Square of the largest coefficientstat.fit.paramfloatn1[0/14] Local mode vibrational quantum numberphys.mol.qnintn2[0/10] Local mode vibrational quantum numberphys.mol.qnintn3[0/10] Local mode vibrational quantum numberphys.mol.qnintn4[0/14] Local mode vibrational quantum numberphys.atmol.qn;phys.mol.vibrationintn5[0/14] Local mode vibrational quantum numberphys.atmol.qn;phys.mol.vibrationintn6[0/42] Local mode vibrational quantum numberphys.atmol.qn;phys.mol.vibrationint