# 7/2/15 10-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 4l and 5l states # All quantities are in atomic units (a.u.) # The reduced mass for O-H is 1728.5 a.u. = 0.9482 u # R U11 U22 U33 U44 U55 U66 U77 U88 U99 U10,10 U12 U13 U14 U15 U16 U17 U18 U19 U1,10 U23 U24 U25 U26 U27 U28 U29 U2,10 U34 U35 U36 U37 U38 U39 U3,10 U45 U46 U47 U48 U49 U4,10 U56 U57 U58 U59 U5,10 U67 U68 U69 U6,10 U78 U79 U7,10 U89 U8,10 U9,10 1.000 0.67986E+01 0.66111E+01 0.66227E+01 0.67241E+01 0.69570E+01 0.72163E+01 0.72128E+01 0.73547E+01 0.72831E+01 0.74198E+01 0.10678E+00 -0.13832E+00 -0.75522E-01 0.26984E+00 -0.16221E-01 0.12067E+00 0.98777E-03 -0.99523E-02 0.10896E+00 0.14723E-01 -0.33870E-01 0.71226E-01 -0.13097E+00 -0.38779E-01 -0.48058E-01 -0.20397E+00 0.19036E+00 -0.35531E-01 -0.93290E-01 0.84180E-01 0.36323E-02 0.11876E-01 0.48797E-01 0.53332E-01 -0.10451E+00 0.71232E-01 -0.63536E-02 0.58007E-01 0.10014E+00 -0.12512E+00 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 0.61580E+01 0.59660E+01 0.59938E+01 0.61026E+01 0.63085E+01 0.65766E+01 0.65806E+01 0.67203E+01 0.66528E+01 0.67827E+01 0.11116E+00 -0.14225E+00 -0.74413E-01 0.27015E+00 -0.17788E-01 0.12143E+00 0.52775E-02 -0.10624E-01 0.10872E+00 0.17209E-01 -0.29569E-01 0.78958E-01 -0.14107E+00 -0.37307E-01 -0.53276E-01 -0.20055E+00 0.18613E+00 -0.30157E-01 -0.84591E-01 0.78316E-01 0.81663E-02 0.77580E-02 0.46863E-01 0.50372E-01 -0.10246E+00 0.67737E-01 -0.91656E-02 0.57399E-01 0.10133E+00 -0.12327E+00 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 0.56236E+01 0.54309E+01 0.54711E+01 0.55868E+01 0.57650E+01 0.60442E+01 0.60559E+01 0.61913E+01 0.61278E+01 0.62530E+01 0.11560E+00 -0.14627E+00 -0.73209E-01 0.27089E+00 -0.19468E-01 0.12303E+00 0.10032E-01 -0.11348E-01 0.10860E+00 0.17268E-01 -0.28217E-01 0.83400E-01 -0.14750E+00 -0.32390E-01 -0.57575E-01 -0.19627E+00 0.18513E+00 -0.24396E-01 -0.73492E-01 0.70922E-01 0.11595E-01 0.47598E-02 0.44989E-01 0.46631E-01 -0.98989E-01 0.63067E-01 -0.13277E-01 0.57005E-01 0.10208E+00 -0.12267E+00 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 0.51714E+01 0.49815E+01 0.50291E+01 0.51517E+01 0.53022E+01 0.55940E+01 0.56136E+01 0.57427E+01 0.56836E+01 0.58049E+01 0.12021E+00 -0.15045E+00 -0.72197E-01 0.27346E+00 -0.22662E-01 0.12243E+00 0.13901E-01 -0.12105E-01 0.10716E+00 0.15764E-01 -0.29032E-01 0.84996E-01 -0.15088E+00 -0.26187E-01 -0.61261E-01 -0.19159E+00 0.18585E+00 -0.18857E-01 -0.60282E-01 0.62886E-01 0.15272E-01 0.27718E-02 0.43340E-01 0.43255E-01 -0.94905E-01 0.58068E-01 -0.17043E-01 0.57014E-01 0.10265E+00 -0.12211E+00 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 0.47746E+01 0.45969E+01 0.46519E+01 0.47788E+01 0.49106E+01 0.52097E+01 0.52333E+01 0.53576E+01 0.53031E+01 0.54219E+01 0.12123E+00 -0.15588E+00 -0.68549E-01 0.27404E+00 -0.25641E-01 0.12876E+00 0.20606E-01 -0.13750E-01 0.10709E+00 0.13376E-01 -0.29954E-01 0.82133E-01 -0.15136E+00 -0.16546E-01 -0.62871E-01 -0.18617E+00 0.18664E+00 -0.13022E-01 -0.50022E-01 0.54848E-01 0.19719E-01 0.15383E-02 0.41014E-01 0.40198E-01 -0.90513E-01 0.53068E-01 -0.21997E-01 0.56570E-01 0.10298E+00 -0.12127E+00 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 0.44274E+01 0.42574E+01 0.43260E+01 0.44530E+01 0.45833E+01 0.48698E+01 0.49091E+01 0.50237E+01 0.49705E+01 0.50877E+01 0.11833E+00 -0.15618E+00 -0.62287E-01 0.27969E+00 -0.33986E-01 0.12182E+00 0.21381E-01 -0.16512E-01 0.10063E+00 0.18190E-01 -0.25039E-01 0.76532E-01 -0.15976E+00 -0.15295E-01 -0.64030E-01 -0.18550E+00 0.17827E+00 -0.10703E-01 -0.44164E-01 0.50772E-01 0.20504E-01 -0.30142E-02 0.41813E-01 0.36143E-01 -0.89006E-01 0.53287E-01 -0.22230E-01 0.56846E-01 0.10558E+00 -0.11674E+00 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 0.41349E+01 0.39520E+01 0.40400E+01 0.41664E+01 0.42889E+01 0.45702E+01 0.46309E+01 0.47346E+01 0.46772E+01 0.47960E+01 0.12202E+00 -0.14999E+00 -0.59505E-01 0.27702E+00 -0.33457E-01 0.11178E+00 0.20285E-01 -0.14839E-01 0.93396E-01 0.33063E-01 -0.16164E-01 0.71288E-01 -0.17473E+00 -0.22076E-01 -0.64429E-01 -0.18991E+00 0.16486E+00 -0.13268E-01 -0.41183E-01 0.54298E-01 0.20570E-01 -0.87495E-02 0.47614E-01 0.32797E-01 -0.87313E-01 0.55318E-01 -0.19950E-01 0.57006E-01 0.10950E+00 -0.11079E+00 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 0.38823E+01 0.36799E+01 0.37883E+01 0.39137E+01 0.40304E+01 0.43021E+01 0.43856E+01 0.44783E+01 0.44173E+01 0.45381E+01 0.12460E+00 -0.14365E+00 -0.57578E-01 0.27434E+00 -0.34154E-01 0.10010E+00 0.17588E-01 -0.12376E-01 0.84651E-01 0.46945E-01 -0.73439E-02 0.67767E-01 -0.19133E+00 -0.27573E-01 -0.63871E-01 -0.19547E+00 0.15260E+00 -0.16001E-01 -0.39526E-01 0.58214E-01 0.20414E-01 -0.15254E-01 0.53464E-01 0.29744E-01 -0.85859E-01 0.58327E-01 -0.17508E-01 0.57225E-01 0.11338E+00 -0.10446E+00 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 0.36570E+01 0.34341E+01 0.35655E+01 0.36881E+01 0.37986E+01 0.40667E+01 0.41651E+01 0.42524E+01 0.41887E+01 0.43087E+01 0.12470E+00 -0.13645E+00 -0.54678E-01 0.26826E+00 -0.31345E-01 0.92664E-01 0.16463E-01 -0.10001E-01 0.79032E-01 0.60445E-01 0.29002E-02 0.67717E-01 -0.20647E+00 -0.33891E-01 -0.65050E-01 -0.20033E+00 0.14159E+00 -0.19203E-01 -0.41443E-01 0.63277E-01 0.22849E-01 -0.19631E-01 0.58494E-01 0.28272E-01 -0.85267E-01 0.60743E-01 -0.15244E-01 0.58025E-01 0.11700E+00 -0.98943E-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 0.34551E+01 0.32107E+01 0.33673E+01 0.34858E+01 0.35919E+01 0.38601E+01 0.39629E+01 0.40510E+01 0.39884E+01 0.41022E+01 0.12147E+00 -0.12836E+00 -0.51019E-01 0.26019E+00 -0.26111E-01 0.89811E-01 0.17789E-01 -0.87684E-02 0.77213E-01 0.72874E-01 0.13957E-01 0.72712E-01 -0.22028E+00 -0.40490E-01 -0.67771E-01 -0.20491E+00 0.13331E+00 -0.22519E-01 -0.47333E-01 0.69306E-01 0.27644E-01 -0.21701E-01 0.62706E-01 0.27581E-01 -0.86274E-01 0.62616E-01 -0.13405E-01 0.59010E-01 0.12057E+00 -0.94789E-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 0.32759E+01 0.30098E+01 0.31896E+01 0.33040E+01 0.34057E+01 0.36727E+01 0.37807E+01 0.38690E+01 0.38079E+01 0.39165E+01 0.11770E+00 -0.12015E+00 -0.48055E-01 0.25158E+00 -0.21496E-01 0.87604E-01 0.19137E-01 -0.84907E-02 0.76728E-01 0.83697E-01 0.24155E-01 0.79606E-01 -0.23409E+00 -0.46599E-01 -0.70797E-01 -0.21001E+00 0.12701E+00 -0.25681E-01 -0.53380E-01 0.74916E-01 0.32131E-01 -0.23606E-01 0.66793E-01 0.26542E-01 -0.87589E-01 0.64664E-01 -0.11941E-01 0.60003E-01 0.12438E+00 -0.91549E-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 0.31161E+01 0.28286E+01 0.30294E+01 0.31398E+01 0.32367E+01 0.35021E+01 0.36154E+01 0.37041E+01 0.36445E+01 0.37490E+01 0.11323E+00 -0.11195E+00 -0.45687E-01 0.24330E+00 -0.17379E-01 0.85566E-01 0.19946E-01 -0.89008E-02 0.77594E-01 0.92847E-01 0.33521E-01 0.88966E-01 -0.24667E+00 -0.52882E-01 -0.74807E-01 -0.21469E+00 0.12259E+00 -0.28617E-01 -0.59928E-01 0.79730E-01 0.36667E-01 -0.25054E-01 0.70354E-01 0.25270E-01 -0.89658E-01 0.66362E-01 -0.10426E-01 0.61447E-01 0.12802E+00 -0.89193E-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 0.29730E+01 0.26658E+01 0.28845E+01 0.29910E+01 0.30824E+01 0.33462E+01 0.34646E+01 0.35538E+01 0.34960E+01 0.35974E+01 0.10835E+00 -0.10402E+00 -0.43888E-01 0.23561E+00 -0.13711E-01 0.83754E-01 0.20382E-01 -0.98062E-02 0.79575E-01 0.10012E+00 0.41738E-01 0.10040E+00 -0.25774E+00 -0.59188E-01 -0.79662E-01 -0.21883E+00 0.12009E+00 -0.31146E-01 -0.66732E-01 0.83602E-01 0.41156E-01 -0.26049E-01 0.73433E-01 0.23529E-01 -0.92461E-01 0.67615E-01 -0.89353E-02 0.63276E-01 0.13145E+00 -0.87742E-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 0.28443E+01 0.25200E+01 0.27530E+01 0.28557E+01 0.29407E+01 0.32033E+01 0.33264E+01 0.34164E+01 0.33604E+01 0.34596E+01 0.10336E+00 -0.96533E-01 -0.42656E-01 0.22875E+00 -0.10325E-01 0.82100E-01 0.20360E-01 -0.11053E-01 0.82637E-01 0.10545E+00 0.48606E-01 0.11355E+00 -0.26689E+00 -0.65559E-01 -0.85355E-01 -0.22212E+00 0.11942E+00 -0.33167E-01 -0.73698E-01 0.86404E-01 0.45633E-01 -0.26588E-01 0.75951E-01 0.21313E-01 -0.95956E-01 0.68245E-01 -0.74192E-02 0.65535E-01 0.13456E+00 -0.87170E-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 0.27280E+01 0.23897E+01 0.26332E+01 0.27323E+01 0.28097E+01 0.30718E+01 0.31988E+01 0.32899E+01 0.32362E+01 0.33339E+01 0.98582E-01 -0.89651E-01 -0.42003E-01 0.22278E+00 -0.70639E-02 0.80564E-01 0.19890E-01 -0.12463E-01 0.86632E-01 0.10883E+00 0.53970E-01 0.12792E+00 -0.27385E+00 -0.71941E-01 -0.91715E-01 -0.22436E+00 0.12033E+00 -0.34609E-01 -0.80665E-01 0.88066E-01 0.50077E-01 -0.26733E-01 0.77871E-01 0.18658E-01 -0.10002E+00 0.68145E-01 -0.58765E-02 0.68180E-01 0.13726E+00 -0.87381E-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 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