# 5/22/15 Five-channel Si^3 + He diabatic potential PCS # from Stancil et al., J. Phys. B 32, 1523 (1999) #------------------------------------------------------------------ # Diabatic potential for Si^3+(3s ^2S) + He(1s^2 ^1S) # -> Si^2+ (nln'l') + He^+(1s ^2S), Si^3+(3p ^2P^o) + He(1s^2 ^1S) # All quantities are in atomic units (a.u.) # The reduced mass for Si-4He is 6383.0222 a.u. = 3.5016 u # R U11 U22 U33 U44 U55 U12 U13 U14 U15 U23 U24 U25 U34 U35 U45 2.000 0.11409E+01 0.72361E+00 0.12911E+01 0.14081E+01 0.10154E+01 -0.27193E+00 0.37225E-01 0.12522E+00 0.83982E-01 0.17553E+00 -0.55557E-01 -0.22365E-01 -0.11316E+00 -0.10284E+00 -0.52273E-01 2.200 0.10496E+01 0.60764E+00 0.11829E+01 0.12184E+01 0.88950E+00 -0.26939E+00 0.31366E-01 0.12188E+00 0.71088E-01 0.15025E+00 -0.58418E-01 -0.33746E-01 -0.11411E+00 -0.10393E+00 -0.38108E-01 2.400 0.97828E+00 0.53528E+00 0.11270E+01 0.10956E+01 0.80307E+00 -0.26044E+00 0.23611E-01 0.12325E+00 0.63731E-01 0.11685E+00 -0.73238E-01 -0.44691E-01 -0.11558E+00 -0.10952E+00 -0.11751E-01 2.600 0.86258E+00 0.49030E+00 0.10815E+01 0.10837E+01 0.74469E+00 -0.23044E+00 0.19397E-02 0.13092E+00 0.56155E-01 0.10084E+00 -0.72900E-01 -0.46291E-01 -0.12340E+00 -0.11500E+00 -0.33162E-02 2.800 0.76801E+00 0.46488E+00 0.10472E+01 0.10854E+01 0.70337E+00 -0.20337E+00 -0.14814E-01 0.13432E+00 0.48408E-01 0.80931E-01 -0.67238E-01 -0.47309E-01 -0.13070E+00 -0.12113E+00 0.70297E-02 3.000 0.68696E+00 0.44703E+00 0.10087E+01 0.10663E+01 0.66910E+00 -0.18034E+00 -0.22441E-01 0.13580E+00 0.37106E-01 0.61104E-01 -0.36962E-01 -0.51315E-01 -0.13690E+00 -0.11884E+00 0.74260E-02 3.100 0.65317E+00 0.43644E+00 0.97498E+00 0.10649E+01 0.65268E+00 -0.16749E+00 -0.24667E-01 0.12345E+00 0.32845E-01 0.54730E-01 -0.21362E-01 -0.53690E-01 -0.13359E+00 -0.10808E+00 0.15716E-02 3.200 0.62299E+00 0.42670E+00 0.94895E+00 0.10566E+01 0.64237E+00 -0.15531E+00 -0.29014E-01 0.10756E+00 0.29894E-01 0.57281E-01 -0.52730E-02 -0.54572E-01 -0.13026E+00 -0.10310E+00 -0.95722E-02 3.300 0.59498E+00 0.41913E+00 0.92090E+00 0.10463E+01 0.63627E+00 -0.14417E+00 -0.32160E-01 0.92360E-01 0.29973E-01 0.59125E-01 0.33767E-02 -0.55002E-01 -0.12663E+00 -0.99728E-01 -0.16761E-01 3.400 0.56910E+00 0.41175E+00 0.89118E+00 0.10151E+01 0.63318E+00 -0.13466E+00 -0.33897E-01 0.78419E-01 0.31636E-01 0.55976E-01 0.54600E-02 -0.54321E-01 -0.12067E+00 -0.95719E-01 -0.17929E-01 3.500 0.54633E+00 0.40308E+00 0.86243E+00 0.98697E+00 0.63361E+00 -0.12590E+00 -0.35030E-01 0.67080E-01 0.32761E-01 0.52326E-01 0.65585E-02 -0.51588E-01 -0.11347E+00 -0.91280E-01 -0.19148E-01 3.600 0.52689E+00 0.39356E+00 0.83555E+00 0.96112E+00 0.63501E+00 -0.11677E+00 -0.35552E-01 0.57461E-01 0.33139E-01 0.49035E-01 0.73032E-02 -0.48276E-01 -0.10595E+00 -0.86216E-01 -0.20437E-01 3.700 0.51035E+00 0.38462E+00 0.81101E+00 0.93793E+00 0.63660E+00 -0.10806E+00 -0.35629E-01 0.48913E-01 0.32961E-01 0.45875E-01 0.76669E-02 -0.44626E-01 -0.98914E-01 -0.81087E-01 -0.21673E-01 3.800 0.49564E+00 0.37644E+00 0.78840E+00 0.91709E+00 0.63816E+00 -0.99789E-01 -0.35480E-01 0.41163E-01 0.32373E-01 0.42931E-01 0.77644E-02 -0.41066E-01 -0.92296E-01 -0.75836E-01 -0.22840E-01 4.000 0.47043E+00 0.36374E+00 0.74884E+00 0.88160E+00 0.64200E+00 -0.84461E-01 -0.34570E-01 0.28373E-01 0.30436E-01 0.37308E-01 0.76422E-02 -0.34706E-01 -0.79981E-01 -0.65965E-01 -0.24054E-01 4.200 0.44907E+00 0.35444E+00 0.71491E+00 0.85157E+00 0.64570E+00 -0.70881E-01 -0.32974E-01 0.18534E-01 0.27922E-01 0.31751E-01 0.72459E-02 -0.29228E-01 -0.68660E-01 -0.56402E-01 -0.24531E-01 4.400 0.43045E+00 0.34678E+00 0.68610E+00 0.82636E+00 0.64853E+00 -0.59418E-01 -0.31007E-01 0.11171E-01 0.24583E-01 0.26884E-01 0.60466E-02 -0.24080E-01 -0.58315E-01 -0.47314E-01 -0.24768E-01 4.600 0.41382E+00 0.34095E+00 0.66147E+00 0.80503E+00 0.65085E+00 -0.49704E-01 -0.28581E-01 0.66077E-02 0.20561E-01 0.22808E-01 0.45913E-02 -0.19399E-01 -0.48838E-01 -0.38994E-01 -0.24063E-01 4.800 0.39875E+00 0.33658E+00 0.64032E+00 0.78672E+00 0.65238E+00 -0.41409E-01 -0.25508E-01 0.48160E-02 0.16511E-01 0.19096E-01 0.30365E-02 -0.15220E-01 -0.40301E-01 -0.31544E-01 -0.22565E-01 5.000 0.38495E+00 0.33350E+00 0.62211E+00 0.77063E+00 0.65302E+00 -0.34294E-01 -0.21862E-01 0.55173E-02 0.12411E-01 0.15668E-01 0.15784E-02 -0.11739E-01 -0.33215E-01 -0.25126E-01 -0.20336E-01 5.200 0.37247E+00 0.33139E+00 0.60593E+00 0.75623E+00 0.65290E+00 -0.28071E-01 -0.17988E-01 0.77416E-02 0.82994E-02 0.12460E-01 0.42750E-03 -0.91080E-02 -0.27932E-01 -0.19820E-01 -0.17726E-01 5.400 0.36097E+00 0.32996E+00 0.59150E+00 0.74329E+00 0.65238E+00 -0.22511E-01 -0.14348E-01 0.10411E-01 0.42767E-02 0.95100E-02 -0.33160E-03 -0.72385E-02 -0.24273E-01 -0.15531E-01 -0.15150E-01 5.500 0.35560E+00 0.32941E+00 0.58484E+00 0.73731E+00 0.65210E+00 -0.19972E-01 -0.12659E-01 0.11694E-01 0.23471E-02 0.81505E-02 -0.57150E-03 -0.65167E-02 -0.22898E-01 -0.13717E-01 -0.13966E-01 5.600 0.35035E+00 0.32892E+00 0.57850E+00 0.73160E+00 0.65180E+00 -0.17556E-01 -0.11067E-01 0.12889E-01 0.49290E-03 0.68949E-02 -0.72620E-03 -0.58962E-02 -0.21760E-01 -0.12095E-01 -0.12858E-01 5.800 0.34037E+00 0.32804E+00 0.56672E+00 0.72083E+00 0.65140E+00 -0.13101E-01 -0.81485E-02 0.14870E-01 -0.29892E-02 0.47157E-02 -0.83610E-03 -0.48952E-02 -0.20068E-01 -0.93545E-02 -0.10797E-01 6.000 0.33103E+00 0.32731E+00 0.55597E+00 0.71076E+00 0.65128E+00 -0.90718E-02 -0.54942E-02 0.16102E-01 -0.61816E-02 0.29201E-02 -0.80610E-03 -0.41356E-02 -0.19006E-01 -0.72147E-02 -0.89337E-02 6.100 0.32648E+00 0.32691E+00 0.55094E+00 0.70600E+00 0.65128E+00 -0.72108E-02 -0.42061E-02 0.16332E-01 -0.76795E-02 0.21379E-02 -0.76500E-03 -0.38133E-02 -0.18646E-01 -0.63287E-02 -0.80959E-02 6.200 0.32212E+00 0.32642E+00 0.54612E+00 0.70130E+00 0.65137E+00 -0.54544E-02 -0.29480E-02 0.16168E-01 -0.91060E-02 0.14198E-02 -0.70960E-03 -0.35207E-02 -0.18378E-01 -0.55556E-02 -0.73089E-02 6.300 0.31775E+00 0.32596E+00 0.54154E+00 0.69675E+00 0.65152E+00 -0.37365E-02 -0.18421E-02 0.15504E-01 -0.10495E-01 0.78090E-03 -0.64790E-03 -0.32543E-02 -0.18195E-01 -0.48918E-02 -0.65683E-02 6.400 0.30893E+00 0.32538E+00 0.53501E+00 0.68607E+00 0.65058E+00 -0.40173E-02 -0.10657E-02 0.14203E-01 -0.11698E-01 -0.32200E-04 -0.59280E-03 -0.31863E-02 -0.18028E-01 -0.44042E-02 -0.51677E-02 6.500 0.30454E+00 0.32526E+00 0.53077E+00 0.68171E+00 0.65052E+00 -0.36049E-02 -0.69720E-03 0.12894E-01 -0.12818E-01 -0.87480E-03 -0.52360E-03 -0.30482E-02 -0.17870E-01 -0.39296E-02 -0.46173E-02 6.600 0.30011E+00 0.32529E+00 0.52655E+00 0.67749E+00 0.65049E+00 -0.30778E-02 -0.45660E-03 0.11674E-01 -0.13906E-01 -0.16167E-02 -0.46180E-03 -0.29132E-02 -0.17726E-01 -0.35037E-02 -0.41045E-02 6.800 0.29178E+00 0.32529E+00 0.51868E+00 0.66932E+00 0.65049E+00 -0.23765E-02 -0.20750E-03 0.95174E-02 -0.15938E-01 -0.29365E-02 -0.34430E-03 -0.26658E-02 -0.17465E-01 -0.27821E-02 -0.32383E-02 7.000 0.28394E+00 0.32535E+00 0.51120E+00 0.66166E+00 0.65033E+00 -0.17279E-02 -0.10030E-03 0.77382E-02 -0.17806E-01 -0.40281E-02 -0.23600E-03 -0.24000E-02 -0.17211E-01 -0.22035E-02 -0.22155E-02 7.100 0.28016E+00 0.32532E+00 0.50757E+00 0.65790E+00 0.65036E+00 -0.14653E-02 -0.75000E-04 0.69695E-02 -0.18669E-01 -0.44830E-02 -0.17240E-03 -0.22182E-02 -0.17071E-01 -0.19622E-02 -0.19610E-02 7.200 0.27646E+00 0.32532E+00 0.50403E+00 0.65436E+00 0.65027E+00 -0.12343E-02 -0.59900E-04 0.62742E-02 -0.19485E-01 -0.48979E-02 -0.11960E-03 -0.19966E-02 -0.16908E-01 -0.17468E-02 -0.14236E-02 7.300 0.27283E+00 0.32532E+00 0.50061E+00 0.65061E+00 0.65055E+00 -0.10495E-02 -0.54800E-04 0.56425E-02 -0.20105E-01 -0.51650E-02 -0.67600E-04 -0.15093E-02 -0.16631E-01 -0.15580E-02 -0.12697E-02 7.400 0.26926E+00 0.32526E+00 0.49723E+00 0.64756E+00 0.65027E+00 -0.92910E-03 -0.55300E-04 0.50748E-02 -0.19902E-01 -0.49850E-02 -0.29400E-04 -0.87170E-03 -0.16287E-01 -0.13968E-02 -0.10221E-02 7.500 0.26569E+00 0.32523E+00 0.49396E+00 0.64432E+00 0.65030E+00 -0.82560E-03 -0.52100E-04 0.45620E-02 -0.19198E-01 -0.45726E-02 -0.32700E-04 -0.61030E-03 -0.16174E-01 -0.12323E-02 -0.87840E-03 7.600 0.26227E+00 0.32529E+00 0.49079E+00 0.64121E+00 0.65030E+00 -0.73050E-03 -0.49800E-04 0.41010E-02 -0.18511E-01 -0.41884E-02 -0.30100E-04 -0.46440E-03 -0.16124E-01 -0.10890E-02 -0.77130E-03 7.700 0.25888E+00 0.32529E+00 0.48761E+00 0.63813E+00 0.65033E+00 -0.64560E-03 -0.48200E-04 0.36862E-02 -0.17831E-01 -0.38306E-02 -0.30200E-04 -0.37250E-03 -0.16104E-01 -0.95820E-03 -0.67380E-03 7.800 0.25556E+00 0.32529E+00 0.48459E+00 0.63514E+00 0.65036E+00 -0.56970E-03 -0.47300E-04 0.33119E-02 -0.17179E-01 -0.35026E-02 -0.30400E-04 -0.30560E-03 -0.16091E-01 -0.84140E-03 -0.58760E-03 8.000 0.24921E+00 0.32532E+00 0.47870E+00 0.62937E+00 0.65039E+00 -0.44200E-03 -0.46900E-04 0.26726E-02 -0.15943E-01 -0.29285E-02 -0.32200E-04 -0.21660E-03 -0.16056E-01 -0.64250E-03 -0.43880E-03 9.000 0.22168E+00 0.32550E+00 0.45292E+00 0.60386E+00 0.65101E+00 -0.13670E-03 -0.46400E-04 0.91750E-03 -0.10972E-01 -0.11934E-02 -0.39000E-04 -0.52200E-04 -0.15814E-01 -0.13210E-03 -0.25100E-03 10.000 0.19962E+00 0.32575E+00 0.43198E+00 0.58307E+00 0.65180E+00 -0.39200E-04 -0.38400E-04 0.31800E-03 -0.74498E-02 -0.51250E-03 -0.23500E-04 -0.13800E-04 -0.15595E-01 -0.28000E-05 -0.20700E-04 12.000 0.16651E+00 0.32581E+00 0.40024E+00 0.55146E+00 0.65262E+00 -0.19500E-04 -0.12200E-04 0.41400E-04 -0.27651E-02 -0.77200E-04 -0.89000E-05 -0.10000E-06 -0.12597E-01 -0.65000E-05 -0.78500E-04 14.000 0.14286E+00 0.32554E+00 0.37714E+00 0.52857E+00 0.65323E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00