# 7/7/15 6-channel O^7+ + H diabatic potential PCS # from Nolte et al., in preparation (2015) #------------------------------------------------------------------ # Diabatic potential for O^7+(1s ^2S) + H(1s ^2S) # -> O^6+ (1sn'l' ^1L) + H^+; for singlet 5l states (states 1-4 of 10 channel case are removed) # All quantities are in atomic units (a.u.) # The reduced mass for O-H is 1728.5 a.u. = 0.9482 u # R U55 U66 U77 U88 U99 U10,10 U56 U57 U58 U59 U5,10 U67 U68 U69 U6,10 U78 U79 U7,10 U89 U8,10 U9,10 1.000 0.63974E+01 0.66567E+01 0.66532E+01 0.67951E+01 0.67234E+01 0.68602E+01 0.99616E-01 -0.72398E-01 -0.12676E-01 0.60005E-01 -0.11000E+00 0.48059E-02 -0.13130E-01 -0.85485E-01 0.22292E-01 -0.29168E-01 -0.10318E-01 -0.85313E-01 0.64149E-01 -0.11590E+00 -0.17759E-01 1.100 0.57488E+01 0.60169E+01 0.60210E+01 0.61607E+01 0.60931E+01 0.62231E+01 0.10393E+00 -0.72374E-01 -0.17548E-01 0.61047E-01 -0.11508E+00 0.23795E-02 -0.11801E-01 -0.89823E-01 0.21481E-01 -0.34923E-01 -0.56935E-02 -0.87510E-01 0.63750E-01 -0.11737E+00 -0.15456E-01 1.200 0.52054E+01 0.54845E+01 0.54963E+01 0.56317E+01 0.55682E+01 0.56934E+01 0.10674E+00 -0.74548E-01 -0.22629E-01 0.61393E-01 -0.12193E+00 0.23667E-02 -0.10619E-01 -0.93021E-01 0.22246E-01 -0.40463E-01 -0.53235E-03 -0.88033E-01 0.63692E-01 -0.11920E+00 -0.12491E-01 1.300 0.47426E+01 0.50343E+01 0.50540E+01 0.51831E+01 0.51239E+01 0.52453E+01 0.10720E+00 -0.80467E-01 -0.29148E-01 0.61152E-01 -0.13124E+00 0.37151E-02 -0.98536E-02 -0.95701E-01 0.23591E-01 -0.46063E-01 0.43563E-02 -0.88091E-01 0.63888E-01 -0.12185E+00 -0.96044E-02 1.400 0.43509E+01 0.46501E+01 0.46737E+01 0.47980E+01 0.47435E+01 0.48623E+01 0.10551E+00 -0.84983E-01 -0.35909E-01 0.60057E-01 -0.13740E+00 0.75234E-02 -0.79304E-02 -0.97621E-01 0.25503E-01 -0.51199E-01 0.99623E-02 -0.87929E-01 0.64741E-01 -0.12424E+00 -0.70017E-02 1.500 0.40237E+01 0.43102E+01 0.43494E+01 0.44641E+01 0.44109E+01 0.45281E+01 0.10318E+00 -0.86834E-01 -0.39129E-01 0.59600E-01 -0.13844E+00 0.73850E-02 -0.75903E-02 -0.10332E+00 0.22760E-01 -0.54498E-01 0.12412E-01 -0.87117E-01 0.64878E-01 -0.12584E+00 -0.55715E-02 1.600 0.37293E+01 0.40106E+01 0.40713E+01 0.41749E+01 0.41176E+01 0.42363E+01 0.10009E+00 -0.82875E-01 -0.40997E-01 0.58112E-01 -0.13904E+00 0.56926E-02 -0.53349E-02 -0.11083E+00 0.19111E-01 -0.53178E-01 0.12576E-01 -0.83111E-01 0.65341E-01 -0.12505E+00 -0.51087E-02 1.700 0.34708E+01 0.37424E+01 0.38260E+01 0.39187E+01 0.38577E+01 0.39785E+01 0.97909E-01 -0.79331E-01 -0.41761E-01 0.57616E-01 -0.14022E+00 0.36558E-02 -0.38050E-02 -0.11968E+00 0.15485E-01 -0.52632E-01 0.12376E-01 -0.79487E-01 0.65973E-01 -0.12446E+00 -0.47321E-02 1.800 0.32389E+01 0.35071E+01 0.36055E+01 0.36928E+01 0.36291E+01 0.37490E+01 0.92780E-01 -0.72734E-01 -0.39906E-01 0.55849E-01 -0.14211E+00 -0.12519E-03 -0.51003E-02 -0.12514E+00 0.10575E-01 -0.51931E-01 0.10778E-01 -0.76012E-01 0.63780E-01 -0.12233E+00 -0.57029E-02 1.900 0.30322E+01 0.33004E+01 0.34032E+01 0.34914E+01 0.34287E+01 0.35425E+01 0.85328E-01 -0.63184E-01 -0.35397E-01 0.53570E-01 -0.14403E+00 -0.87768E-02 -0.11717E-01 -0.12559E+00 0.21316E-02 -0.53121E-01 0.71330E-02 -0.74355E-01 0.58101E-01 -0.11991E+00 -0.82760E-02 2.000 0.28461E+01 0.31131E+01 0.32211E+01 0.33093E+01 0.32482E+01 0.33569E+01 0.79158E-01 -0.53360E-01 -0.30356E-01 0.51963E-01 -0.14575E+00 -0.17079E-01 -0.17762E-01 -0.12642E+00 -0.61774E-02 -0.54589E-01 0.36298E-02 -0.72342E-01 0.52981E-01 -0.11726E+00 -0.10741E-01 2.100 0.26771E+01 0.29425E+01 0.30558E+01 0.31444E+01 0.30848E+01 0.31893E+01 0.74120E-01 -0.42641E-01 -0.24220E-01 0.50999E-01 -0.14730E+00 -0.25472E-01 -0.24227E-01 -0.12750E+00 -0.13846E-01 -0.56213E-01 -0.38203E-05 -0.70144E-01 0.47762E-01 -0.11460E+00 -0.12942E-01 2.200 0.25227E+01 0.27866E+01 0.29050E+01 0.29942E+01 0.29363E+01 0.30377E+01 0.70537E-01 -0.31187E-01 -0.17345E-01 0.50665E-01 -0.14836E+00 -0.33789E-01 -0.30934E-01 -0.12874E+00 -0.20699E-01 -0.58187E-01 -0.36290E-02 -0.67776E-01 0.42619E-01 -0.11212E+00 -0.14777E-01 2.300 0.23811E+01 0.26437E+01 0.27667E+01 0.28567E+01 0.28008E+01 0.29000E+01 0.68409E-01 -0.19000E-01 -0.97418E-02 0.50962E-01 -0.14899E+00 -0.42072E-01 -0.37972E-01 -0.12999E+00 -0.26658E-01 -0.60576E-01 -0.72282E-02 -0.65348E-01 0.37502E-01 -0.10990E+00 -0.16177E-01 2.400 0.22501E+01 0.25122E+01 0.26391E+01 0.27302E+01 0.26766E+01 0.27743E+01 0.67684E-01 -0.61548E-02 -0.14892E-02 0.51830E-01 -0.14924E+00 -0.50321E-01 -0.45326E-01 -0.13110E+00 -0.31751E-01 -0.63441E-01 -0.10755E-01 -0.62949E-01 0.32438E-01 -0.10800E+00 -0.17126E-01 2.500 0.21284E+01 0.23909E+01 0.25209E+01 0.26133E+01 0.25626E+01 0.26591E+01 0.68216E-01 0.72706E-02 0.73668E-02 0.53192E-01 -0.14925E+00 -0.58547E-01 -0.52960E-01 -0.13193E+00 -0.36091E-01 -0.66826E-01 -0.14186E-01 -0.60636E-01 0.27457E-01 -0.10643E+00 -0.17666E-01 2.550 0.20707E+01 0.23338E+01 0.24649E+01 0.25581E+01 0.25091E+01 0.26050E+01 0.68894E-01 0.14166E-01 0.11987E-01 0.54021E-01 -0.14919E+00 -0.62651E-01 -0.56832E-01 -0.13217E+00 -0.38076E-01 -0.68724E-01 -0.15860E-01 -0.59519E-01 0.25039E-01 -0.10577E+00 -0.17858E-01 2.600 0.20149E+01 0.22789E+01 0.24108E+01 0.25048E+01 0.24578E+01 0.25531E+01 0.69809E-01 0.21156E-01 0.16735E-01 0.54945E-01 -0.14913E+00 -0.66743E-01 -0.60714E-01 -0.13225E+00 -0.39983E-01 -0.70783E-01 -0.17516E-01 -0.58393E-01 0.22684E-01 -0.10516E+00 -0.18042E-01 2.650 0.19608E+01 0.22262E+01 0.23585E+01 0.24533E+01 0.24089E+01 0.25035E+01 0.70957E-01 0.28219E-01 0.21410E-01 0.55868E-01 -0.14885E+00 -0.70816E-01 -0.64359E-01 -0.13199E+00 -0.42193E-01 -0.72991E-01 -0.19140E-01 -0.57276E-01 0.20595E-01 -0.10462E+00 -0.18573E-01 2.700 0.19084E+01 0.21756E+01 0.23080E+01 0.24032E+01 0.23625E+01 0.24555E+01 0.72323E-01 0.35296E-01 0.26003E-01 0.56836E-01 -0.14843E+00 -0.74831E-01 -0.67575E-01 -0.13122E+00 -0.44933E-01 -0.75398E-01 -0.20760E-01 -0.56042E-01 0.18826E-01 -0.10379E+00 -0.19575E-01 2.800 0.18075E+01 0.20799E+01 0.22116E+01 0.23063E+01 0.22761E+01 0.23639E+01 0.75520E-01 0.49609E-01 0.34907E-01 0.58792E-01 -0.14724E+00 -0.82968E-01 -0.73633E-01 -0.12865E+00 -0.51271E-01 -0.80800E-01 -0.24148E-01 -0.53245E-01 0.15553E-01 -0.10099E+00 -0.22298E-01 2.900 0.17168E+01 0.19987E+01 0.21273E+01 0.22198E+01 0.21972E+01 0.22751E+01 0.73038E-01 0.56836E-01 0.38087E-01 0.59313E-01 -0.14887E+00 -0.85504E-01 -0.73768E-01 -0.12202E+00 -0.58485E-01 -0.81258E-01 -0.25054E-01 -0.50862E-01 0.14821E-01 -0.97763E-01 -0.24003E-01 3.000 0.16460E+01 0.19264E+01 0.20534E+01 0.21428E+01 0.21232E+01 0.21860E+01 0.64516E-01 0.53256E-01 0.33640E-01 0.58794E-01 -0.15156E+00 -0.85159E-01 -0.70454E-01 -0.11367E+00 -0.68385E-01 -0.77361E-01 -0.24234E-01 -0.51929E-01 0.15448E-01 -0.96101E-01 -0.24075E-01 3.100 0.15820E+01 0.18582E+01 0.19848E+01 0.20711E+01 0.20534E+01 0.21019E+01 0.54130E-01 0.48474E-01 0.28086E-01 0.57063E-01 -0.15381E+00 -0.84205E-01 -0.67122E-01 -0.10631E+00 -0.78090E-01 -0.73177E-01 -0.23182E-01 -0.53459E-01 0.15890E-01 -0.94629E-01 -0.24028E-01 3.200 0.15249E+01 0.17938E+01 0.19203E+01 0.20036E+01 0.19880E+01 0.20221E+01 0.43195E-01 0.42736E-01 0.22072E-01 0.54952E-01 -0.15566E+00 -0.83603E-01 -0.64398E-01 -0.99304E-01 -0.87885E-01 -0.69373E-01 -0.22083E-01 -0.55718E-01 0.16192E-01 -0.93657E-01 -0.23747E-01 3.300 0.14728E+01 0.17328E+01 0.18599E+01 0.19402E+01 0.19263E+01 0.19466E+01 0.30894E-01 0.36212E-01 0.15630E-01 0.52161E-01 -0.15786E+00 -0.82680E-01 -0.61970E-01 -0.93056E-01 -0.97344E-01 -0.65592E-01 -0.20994E-01 -0.57973E-01 0.16259E-01 -0.92810E-01 -0.23461E-01 3.400 0.14258E+01 0.16746E+01 0.18031E+01 0.18805E+01 0.18681E+01 0.18752E+01 0.18078E-01 0.29268E-01 0.91470E-02 0.48997E-01 -0.16007E+00 -0.81906E-01 -0.60130E-01 -0.87456E-01 -0.10654E+00 -0.62118E-01 -0.19988E-01 -0.60399E-01 0.16099E-01 -0.92251E-01 -0.23137E-01 3.500 0.13831E+01 0.16191E+01 0.17497E+01 0.18241E+01 0.18131E+01 0.18079E+01 0.47978E-02 0.22068E-01 0.27333E-02 0.45451E-01 -0.16233E+00 -0.81168E-01 -0.58781E-01 -0.82577E-01 -0.11535E+00 -0.58870E-01 -0.19077E-01 -0.62835E-01 0.15718E-01 -0.91901E-01 -0.22827E-01 3.600 0.13441E+01 0.15659E+01 0.16991E+01 0.17708E+01 0.17610E+01 0.17443E+01 -0.86382E-02 0.14812E-01 -0.34520E-02 0.41626E-01 -0.16457E+00 -0.80519E-01 -0.57919E-01 -0.78393E-01 -0.12369E+00 -0.55868E-01 -0.18285E-01 -0.65220E-01 0.15136E-01 -0.91743E-01 -0.22547E-01 3.700 0.13084E+01 0.15150E+01 0.16513E+01 0.17204E+01 0.17115E+01 0.16844E+01 -0.22034E-01 0.76664E-02 -0.93448E-02 0.37540E-01 -0.16669E+00 -0.79930E-01 -0.57470E-01 -0.74860E-01 -0.13150E+00 -0.53072E-01 -0.17597E-01 -0.67497E-01 0.14383E-01 -0.91743E-01 -0.22298E-01 3.800 0.12754E+01 0.14661E+01 0.16059E+01 0.16728E+01 0.16644E+01 0.16279E+01 -0.35188E-01 0.79046E-03 -0.14910E-01 0.33218E-01 -0.16857E+00 -0.79392E-01 -0.57359E-01 -0.71911E-01 -0.13872E+00 -0.50451E-01 -0.16997E-01 -0.69620E-01 0.13497E-01 -0.91880E-01 -0.22066E-01 3.900 0.12446E+01 0.14193E+01 0.15627E+01 0.16276E+01 0.16196E+01 0.15747E+01 -0.47923E-01 -0.57041E-02 -0.20078E-01 0.28710E-01 -0.17016E+00 -0.78887E-01 -0.57533E-01 -0.69464E-01 -0.14529E+00 -0.47995E-01 -0.16477E-01 -0.71529E-01 0.12501E-01 -0.92098E-01 -0.21858E-01 4.000 0.12156E+01 0.13746E+01 0.15217E+01 0.15848E+01 0.15770E+01 0.15248E+01 -0.60094E-01 -0.11734E-01 -0.24836E-01 0.24037E-01 -0.17137E+00 -0.78410E-01 -0.57937E-01 -0.67453E-01 -0.15116E+00 -0.45692E-01 -0.16025E-01 -0.73187E-01 0.11412E-01 -0.92361E-01 -0.21667E-01 4.100 0.11882E+01 0.13319E+01 0.14827E+01 0.15443E+01 0.15364E+01 0.14779E+01 -0.71566E-01 -0.17238E-01 -0.29164E-01 0.19257E-01 -0.17216E+00 -0.77944E-01 -0.58450E-01 -0.65760E-01 -0.15637E+00 -0.43509E-01 -0.15615E-01 -0.74597E-01 0.10284E-01 -0.92631E-01 -0.21477E-01 4.200 0.11620E+01 0.12911E+01 0.14455E+01 0.15058E+01 0.14977E+01 0.14338E+01 -0.82283E-01 -0.22188E-01 -0.33116E-01 0.14397E-01 -0.17246E+00 -0.77476E-01 -0.59085E-01 -0.64352E-01 -0.16085E+00 -0.41447E-01 -0.15259E-01 -0.75715E-01 0.90959E-02 -0.92883E-01 -0.21286E-01 4.300 0.11368E+01 0.12522E+01 0.14100E+01 0.14692E+01 0.14607E+01 0.13924E+01 -0.92218E-01 -0.26582E-01 -0.36759E-01 0.94805E-02 -0.17219E+00 -0.76998E-01 -0.59851E-01 -0.63211E-01 -0.16455E+00 -0.39511E-01 -0.14967E-01 -0.76509E-01 0.78269E-02 -0.93099E-01 -0.21090E-01 4.400 0.11124E+01 0.12152E+01 0.13761E+01 0.14343E+01 0.14253E+01 0.13537E+01 -0.10133E+00 -0.30432E-01 -0.40111E-01 0.45586E-02 -0.17135E+00 -0.76479E-01 -0.60660E-01 -0.62241E-01 -0.16755E+00 -0.37670E-01 -0.14722E-01 -0.77010E-01 0.65117E-02 -0.93249E-01 -0.20891E-01 4.500 0.10889E+01 0.11801E+01 0.13437E+01 0.14010E+01 0.13915E+01 0.13171E+01 -0.10961E+00 -0.33760E-01 -0.43195E-01 -0.31203E-03 -0.16995E+00 -0.75889E-01 -0.61424E-01 -0.61353E-01 -0.16994E+00 -0.35898E-01 -0.14509E-01 -0.77251E-01 0.51882E-02 -0.93302E-01 -0.20704E-01 4.600 0.10659E+01 0.11466E+01 0.13126E+01 0.13690E+01 0.13591E+01 0.12829E+01 -0.11714E+00 -0.36604E-01 -0.46165E-01 -0.51725E-02 -0.16786E+00 -0.75234E-01 -0.62279E-01 -0.60621E-01 -0.17160E+00 -0.34245E-01 -0.14364E-01 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