# 5/1/15 Three-channel NaHe diabatic potential PCS # updated MRCI #-------------------------------------------------------------- # Diabatic potential for Na(3s) + He -> Na(3p) + He collisions # All quantities are in atomic units (a.u.) # The reduced mass for 23Na-4He is 6214.351 a.u. # # R U11 U22 U33 U12 U13 U23 0.200 0.61692E+02 0.61673E+02 0.61730E+02 0.76419E+00 -0.69080E-01 0.60838E+00 0.300 0.32026E+02 0.32000E+02 0.32041E+02 0.63617E+00 -0.76799E-01 0.71831E+00 0.400 0.18654E+02 0.18630E+02 0.18668E+02 0.61687E+00 -0.74486E-01 0.71525E+00 0.500 0.11751E+02 0.11724E+02 0.11758E+02 0.58543E+00 -0.70592E-01 0.73677E+00 0.600 0.78957E+01 0.78674E+01 0.79026E+01 0.57365E+00 -0.67264E-01 0.74764E+00 0.700 0.56286E+01 0.56011E+01 0.56375E+01 0.57066E+00 -0.64509E-01 0.75227E+00 0.800 0.42379E+01 0.42134E+01 0.42498E+01 0.55889E+00 -0.61572E-01 0.76149E+00 0.900 0.33387E+01 0.33226E+01 0.33571E+01 0.51791E+00 -0.57193E-01 0.78974E+00 1.000 0.27059E+01 0.27063E+01 0.27365E+01 0.44163E+00 -0.49813E-01 0.83702E+00 1.100 0.22129E+01 0.22327E+01 0.22578E+01 0.35173E+00 -0.41183E-01 0.87920E+00 1.300 0.14574E+01 0.15011E+01 0.15197E+01 0.20693E+00 -0.27056E-01 0.91735E+00 1.400 0.11695E+01 0.12172E+01 0.12342E+01 0.16832E+00 -0.22424E-01 0.92518E+00 1.500 0.93324E+00 0.98317E+00 0.99897E+00 0.14760E+00 -0.19367E-01 0.92691E+00 1.600 0.74247E+00 0.79337E+00 0.80836E+00 0.13085E+00 -0.17396E-01 0.92557E+00 1.700 0.58951E+00 0.64068E+00 0.65538E+00 0.12608E+00 -0.16186E-01 0.92348E+00 1.800 0.46763E+00 0.51882E+00 0.53337E+00 0.12370E+00 -0.15457E-01 0.92046E+00 1.900 0.37083E+00 0.42192E+00 0.43642E+00 0.12324E+00 -0.15030E-01 0.91646E+00 2.000 0.29436E+00 0.34513E+00 0.35973E+00 0.12386E+00 -0.14918E-01 0.91162E+00 2.100 0.23381E+00 0.28448E+00 0.29895E+00 0.12303E+00 -0.14935E-01 0.90712E+00 2.200 0.18579E+00 0.23682E+00 0.25126E+00 0.12243E+00 -0.15054E-01 0.90260E+00 2.300 0.14828E+00 0.19929E+00 0.21398E+00 0.12344E+00 -0.15218E-01 0.89707E+00 2.400 0.11880E+00 0.16988E+00 0.18491E+00 0.12418E+00 -0.15451E-01 0.89133E+00 2.500 0.95688E-01 0.14688E+00 0.16220E+00 0.12448E+00 -0.15707E-01 0.88573E+00 2.600 0.77583E-01 0.12902E+00 0.14451E+00 0.12433E+00 -0.15949E-01 0.88064E+00 2.700 0.63442E-01 0.11513E+00 0.13106E+00 0.12387E+00 -0.16242E-01 0.87607E+00 2.800 0.52364E-01 0.10450E+00 0.12061E+00 0.12277E+00 -0.16490E-01 0.87195E+00 2.900 0.43836E-01 0.96321E-01 0.11259E+00 0.12119E+00 -0.16676E-01 0.86833E+00 3.000 0.37069E-01 0.90106E-01 0.10657E+00 0.11923E+00 -0.16874E-01 0.86530E+00 3.100 0.31767E-01 0.85386E-01 0.10215E+00 0.11720E+00 -0.17064E-01 0.86240E+00 3.200 0.27380E-01 0.81886E-01 0.98721E-01 0.11355E+00 -0.17228E-01 0.86108E+00 3.300 0.24093E-01 0.79244E-01 0.96249E-01 0.10970E+00 -0.17305E-01 0.86037E+00 3.400 0.21462E-01 0.77330E-01 0.94451E-01 0.10555E+00 -0.17343E-01 0.86023E+00 3.500 0.19339E-01 0.75927E-01 0.93111E-01 0.10090E+00 -0.17325E-01 0.86109E+00 3.600 0.17593E-01 0.74979E-01 0.92379E-01 0.96036E-01 -0.17315E-01 0.86235E+00 3.700 0.16147E-01 0.74286E-01 0.91729E-01 0.91066E-01 -0.17214E-01 0.86347E+00 3.800 0.14880E-01 0.73886E-01 0.91155E-01 0.86251E-01 -0.17042E-01 0.86555E+00 3.900 0.13781E-01 0.73557E-01 0.90850E-01 0.80879E-01 -0.16844E-01 0.86842E+00 4.000 0.12763E-01 0.73393E-01 0.90611E-01 0.75364E-01 -0.16608E-01 0.87186E+00 4.100 0.11842E-01 0.73339E-01 0.90384E-01 0.69856E-01 -0.16323E-01 0.87533E+00 4.200 0.11019E-01 0.73321E-01 0.90186E-01 0.64678E-01 -0.15994E-01 0.87852E+00 4.400 0.94482E-02 0.73393E-01 0.89752E-01 0.54150E-01 -0.15243E-01 0.88607E+00 4.500 0.88091E-02 0.73503E-01 0.89498E-01 0.49253E-01 -0.14805E-01 0.88987E+00 4.700 0.75746E-02 0.73776E-01 0.89038E-01 0.39851E-01 -0.13903E-01 0.89761E+00 4.800 0.70352E-02 0.73922E-01 0.88757E-01 0.35521E-01 -0.13431E-01 0.90132E+00 4.900 0.65201E-02 0.74086E-01 0.88470E-01 0.31264E-01 -0.12958E-01 0.90501E+00 5.000 0.60659E-02 0.74232E-01 0.88196E-01 0.27328E-01 -0.12485E-01 0.90863E+00 5.500 0.41608E-02 0.74888E-01 0.86401E-01 0.10168E-01 -0.10194E-01 0.92581E+00 6.000 0.27772E-02 0.75398E-01 0.84613E-01 -0.23377E-02 -0.82687E-02 0.94059E+00 6.500 0.18548E-02 0.75763E-01 0.82984E-01 -0.12232E-01 -0.67682E-02 0.95399E+00 7.000 0.11976E-02 0.75945E-01 0.81454E-01 -0.20250E-01 -0.56490E-02 0.96453E+00 7.500 0.80261E-03 0.76054E-01 0.80209E-01 -0.24959E-01 -0.48266E-02 0.97292E+00 8.000 0.53966E-03 0.76127E-01 0.79196E-01 -0.29107E-01 -0.42580E-02 0.97972E+00 8.500 0.37232E-03 0.76182E-01 0.78434E-01 -0.32450E-01 -0.38566E-02 0.98512E+00 9.000 0.30846E-03 0.76218E-01 0.77824E-01 -0.34047E-01 -0.35546E-02 0.98899E+00 9.500 0.18330E-03 0.76221E-01 0.77400E-01 -0.35210E-01 -0.33640E-02 0.99191E+00 10.000 0.13363E-03 0.76242E-01 0.77121E-01 -0.38686E-01 -0.30284E-02 0.99615E+00 10.500 0.10361E-03 0.76255E-01 0.76917E-01 -0.35605E-01 -0.27823E-02 0.99626E+00 11.000 0.82437E-04 0.76264E-01 0.76772E-01 -0.32765E-01 -0.25578E-02 0.99636E+00 11.500 0.66944E-04 0.76271E-01 0.76668E-01 -0.30147E-01 -0.23525E-02 0.99644E+00 12.000 0.55206E-04 0.76276E-01 0.76595E-01 -0.27735E-01 -0.21643E-02 0.99651E+00 12.500 0.46033E-04 0.76279E-01 0.76544E-01 -0.25512E-01 -0.19917E-02 0.99657E+00 13.000 0.38678E-04 0.76282E-01 0.76508E-01 -0.23463E-01 -0.18330E-02 0.99662E+00 13.500 0.32663E-04 0.76284E-01 0.76483E-01 -0.21575E-01 -0.16871E-02 0.99667E+00 14.000 0.27671E-04 0.76286E-01 0.76466E-01 -0.19836E-01 -0.15529E-02 0.99670E+00 14.500 0.23487E-04 0.76287E-01 0.76455E-01 -0.18232E-01 -0.14293E-02 0.99673E+00 15.000 0.19954E-04 0.76288E-01 0.76447E-01 -0.16755E-01 -0.13155E-02 0.99676E+00 15.500 0.16959E-04 0.76289E-01 0.76443E-01 -0.15394E-01 -0.12107E-02 0.99678E+00 16.000 0.14412E-04 0.76289E-01 0.76440E-01 -0.14139E-01 -0.11141E-02 0.99680E+00 16.500 0.12245E-04 0.76290E-01 0.76438E-01 -0.12983E-01 -0.10251E-02 0.99682E+00 17.000 0.10411E-04 0.76290E-01 0.76438E-01 -0.11918E-01 -0.94313E-03 0.99683E+00 17.500 0.88183E-05 0.76290E-01 0.76437E-01 -0.10937E-01 -0.86758E-03 0.99684E+00 18.000 0.74639E-05 0.76291E-01 0.76437E-01 -0.10033E-01 -0.79796E-03 0.99685E+00 18.500 0.63125E-05 0.76291E-01 0.76438E-01 -0.92000E-02 -0.73379E-03 0.99686E+00 19.000 0.53343E-05 0.76291E-01 0.76438E-01 -0.84325E-02 -0.67465E-03 0.99686E+00 19.500 0.45035E-05 0.76291E-01 0.76439E-01 -0.77254E-02 -0.62015E-03 0.99687E+00 20.000 0.37985E-05 0.76291E-01 0.76439E-01 -0.70739E-02 -0.56992E-03 0.99687E+00 20.500 0.32005E-05 0.76291E-01 0.76440E-01 -0.64738E-02 -0.52363E-03 0.99688E+00 21.000 0.26937E-05 0.76291E-01 0.76440E-01 -0.59209E-02 -0.48097E-03 0.99688E+00 21.500 0.22645E-05 0.76291E-01 0.76441E-01 -0.54116E-02 -0.44164E-03 0.99689E+00 22.000 0.19012E-05 0.76291E-01 0.76441E-01 -0.49424E-02 -0.40540E-03 0.99689E+00 22.500 0.15940E-05 0.76291E-01 0.76442E-01 -0.45102E-02 -0.37200E-03 0.99689E+00 23.000 0.13345E-05 0.76292E-01 0.76442E-01 -0.41122E-02 -0.34122E-03 0.99689E+00 23.500 0.11153E-05 0.76292E-01 0.76442E-01 -0.37455E-02 -0.31285E-03 0.99689E+00 24.000 0.93044E-06 0.76292E-01 0.76442E-01 -0.34079E-02 -0.28670E-03 0.99689E+00 24.500 0.77465E-06 0.76292E-01 0.76443E-01 -0.30969E-02 -0.26260E-03 0.99690E+00 25.000 0.64349E-06 0.76292E-01 0.76443E-01 -0.28105E-02 -0.24039E-03 0.99690E+00 25.500 0.53319E-06 0.76292E-01 0.76443E-01 -0.25468E-02 -0.21993E-03 0.99690E+00 26.000 0.44054E-06 0.76292E-01 0.76443E-01 -0.23040E-02 -0.20106E-03 0.99690E+00 26.500 0.36282E-06 0.76292E-01 0.76443E-01 -0.20804E-02 -0.18367E-03 0.99690E+00 27.000 0.29772E-06 0.76292E-01 0.76443E-01 -0.18745E-02 -0.16765E-03 0.99690E+00 27.500 0.24327E-06 0.76292E-01 0.76443E-01 -0.16850E-02 -0.15288E-03 0.99690E+00 28.000 0.19780E-06 0.76292E-01 0.76444E-01 -0.15106E-02 -0.13927E-03 0.99690E+00 28.500 0.15991E-06 0.76292E-01 0.76444E-01 -0.13500E-02 -0.12672E-03 0.99690E+00 29.000 0.12841E-06 0.76292E-01 0.76444E-01 -0.12023E-02 -0.11516E-03 0.99690E+00 29.500 0.10228E-06 0.76292E-01 0.76444E-01 -0.10663E-02 -0.10451E-03 0.99690E+00 30.000 0.80663E-07 0.76292E-01 0.76444E-01 -0.94117E-03 -0.94685E-04 0.99690E+00 30.500 0.62839E-07 0.76292E-01 0.76444E-01 -0.82605E-03 -0.85634E-04 0.99690E+00 31.000 0.48195E-07 0.76292E-01 0.76444E-01 -0.72016E-03 -0.77292E-04 0.99690E+00 31.500 0.36215E-07 0.76292E-01 0.76444E-01 -0.62277E-03 -0.69604E-04 0.99690E+00 32.000 0.26461E-07 0.76292E-01 0.76444E-01 -0.53320E-03 -0.62519E-04 0.99690E+00 32.500 0.18567E-07 0.76292E-01 0.76444E-01 -0.45085E-03 -0.55988E-04 0.99690E+00 33.000 0.12223E-07 0.76292E-01 0.76444E-01 -0.37514E-03 -0.49970E-04 0.99690E+00 33.500 0.71659E-08 0.76292E-01 0.76444E-01 -0.30555E-03 -0.44423E-04 0.99690E+00 34.000 0.31776E-08 0.76292E-01 0.76444E-01 -0.24161E-03 -0.39311E-04 0.99690E+00 34.500 0.73098E-10 0.76292E-01 0.76444E-01 -0.18286E-03 -0.34599E-04 0.99690E+00 35.000 -0.23025E-08 0.76292E-01 0.76444E-01 -0.12891E-03 -0.30257E-04 0.99690E+00 35.500 -0.40792E-08 0.76292E-01 0.76444E-01 -0.79359E-04 -0.26255E-04 0.99690E+00 36.000 -0.53658E-08 0.76292E-01 0.76444E-01 -0.33877E-04 -0.22567E-04 0.99690E+00 36.500 -0.62532E-08 0.76292E-01 0.76444E-01 0.78628E-05 -0.19167E-04 0.99690E+00 37.000 -0.68174E-08 0.76292E-01 0.76444E-01 0.46154E-04 -0.16034E-04 0.99690E+00 37.500 -0.71217E-08 0.76292E-01 0.76444E-01 0.81269E-04 -0.13147E-04 0.99690E+00 38.000 -0.72186E-08 0.76292E-01 0.76444E-01 0.11346E-03 -0.10486E-04 0.99690E+00 38.500 -0.71517E-08 0.76292E-01 0.76444E-01 0.14295E-03 -0.80332E-05 0.99690E+00 39.000 -0.69571E-08 0.76292E-01 0.76444E-01 0.16997E-03 -0.57728E-05 0.99690E+00