# BKMP2 lambda=2: V_2(H3) [5 H2-molecule sizes]: r, R in bohrs, V in hartrees. # # # R V2(r= .90000) V2(r=1.28000) V2(r=1.44900) V2(r=1.61800) V2(r=2.00000) #==== ------------- ------------- ============= ------------- ------------- 1.6 2.335809E-02 3.550772E-02 4.295921E-02 5.428105E-02 1.128440E-01 1.8 1.122449E-02 1.080095E-02 9.147396E-03 7.955108E-03 1.745675E-02 2.0 5.701340E-03 1.159781E-03 -3.686340E-03 -9.914455E-03 -2.280105E-02 2.2 3.039235E-03 -1.825336E-03 -6.949642E-03 -1.429348E-02 -3.618252E-02 2.4 1.739901E-03 -2.200431E-03 -6.418877E-03 -1.297247E-02 -3.636021E-02 2.6 1.160191E-03 -1.729157E-03 -4.804017E-03 -9.888516E-03 -3.075392E-02 2.8 9.185619E-04 -1.095463E-03 -3.200261E-03 -6.821768E-03 -2.346365E-02 3.0 7.736606E-04 -5.374023E-04 -1.947284E-03 -4.397126E-03 -1.660830E-02 3.2 6.088977E-04 -1.294979E-04 -1.085738E-03 -2.700272E-03 -1.109291E-02 3.4 4.007441E-04 1.162577E-04 -5.584591E-04 -1.616497E-03 -7.104327E-03 3.6 1.753446E-04 2.205638E-04 -2.821350E-04 -9.835664E-04 -4.443374E-03 3.8 -2.770768E-05 2.240951E-04 -1.706993E-04 -6.480330E-04 -2.775135E-03 4.0 -1.774317E-04 1.744941E-04 -1.472264E-04 -4.841257E-04 -1.774004E-03 4.2 -2.605359E-04 1.130489E-04 -1.533798E-04 -4.007986E-04 -1.183375E-03 4.4 -2.813527E-04 6.567438E-05 -1.546447E-04 -3.427652E-04 -8.266598E-04 4.6 -2.564160E-04 4.101080E-05 -1.390182E-04 -2.854906E-04 -5.963128E-04 4.8 -2.069423E-04 3.482294E-05 -1.100282E-04 -2.253483E-04 -4.349055E-04 5.0 -1.520189E-04 3.730635E-05 -7.760115E-05 -1.683838E-04 -3.156953E-04 5.2 -1.044612E-04 3.955535E-05 -5.060466E-05 -1.214263E-04 -2.270656E-04 5.4 -6.990826E-05 3.694704E-05 -3.319368E-05 -8.756260E-05 -1.627632E-04 5.6 -4.837320E-05 2.928026E-05 -2.482767E-05 -6.567604E-05 -1.175209E-04 5.8 -3.680675E-05 1.896474E-05 -2.234098E-05 -5.226007E-05 -8.618325E-05 6.0 -3.140448E-05 8.882091E-06 -2.224252E-05 -4.356738E-05 -6.423753E-05 6.2 -2.902153E-05 9.917110E-07 -2.212888E-05 -3.693137E-05 -4.835568E-05 6.4 -2.766836E-05 -4.055238E-06 -2.100792E-05 -3.105070E-05 -3.645386E-05 6.6 -2.639521E-05 -6.600135E-06 -1.891704E-05 -2.561595E-05 -2.737680E-05 6.8 -2.492683E-05 -7.428257E-06 -1.634522E-05 -2.076875E-05 -2.049048E-05 7.0 -2.330378E-05 -7.324688E-06 -1.379497E-05 -1.670358E-05 -1.537891E-05 7.2 -2.164472E-05 -6.854737E-06 -1.158249E-05 -1.349247E-05 -1.169328E-05 7.4 -2.003766E-05 -6.332110E-06 -9.820516E-06 -1.107203E-05 -9.110944E-06 7.6 -1.851801E-05 -5.882691E-06 -8.484741E-06 -9.299691E-06 -7.343031E-06 7.8 -1.708509E-05 -5.527050E-06 -7.489457E-06 -8.013633E-06 -6.149191E-06 8.0 -1.572482E-05 -5.243081E-06 -6.739499E-06 -7.070256E-06 -5.343557E-06 8.2 -1.442459E-05 -5.000982E-06 -6.155109E-06 -6.358461E-06 -4.791061E-06 8.4 -1.317873E-05 -4.777379E-06 -5.678389E-06 -5.799500E-06 -4.398466E-06 8.6 -1.198805E-05 -4.558063E-06 -5.270878E-06 -5.340694E-06 -4.104145E-06 8.8 -1.085710E-05 -4.336217E-06 -4.908462E-06 -4.948112E-06 -3.868838E-06 9.0 -9.791409E-06 -4.109757E-06 -4.576566E-06 -4.600366E-06 -3.668242E-06 9.2 -8.795619E-06 -3.879164E-06 -4.266543E-06 -4.284028E-06 -3.487494E-06 9.4 -7.872596E-06 -3.646026E-06 -3.973203E-06 -3.990488E-06 -3.317306E-06 9.6 -7.023162E-06 -3.412123E-06 -3.693204E-06 -3.713882E-06 -3.151484E-06 9.8 -6.246180E-06 -3.178919E-06 -3.424089E-06 -3.449873E-06 -2.985627E-06 10.0 -5.538889E-06 -2.947449E-06 -3.163922E-06 -3.195187E-06 -2.816768E-06 10.2 -4.897474E-06 -2.718641E-06 -2.911485E-06 -2.947773E-06 -2.643607E-06 10.4 -4.317818E-06 -2.493929E-06 -2.666774E-06 -2.707222E-06 -2.466624E-06 10.6 -3.796153E-06 -2.275675E-06 -2.431207E-06 -2.474677E-06 -2.286351E-06 10.8 -3.329198E-06 -2.066569E-06 -2.206291E-06 -2.250342E-06 -2.096785E-06 11.0 -2.913211E-06 -1.865924E-06 -1.987839E-06 -2.025842E-06 -1.886895E-06 11.2 -2.540035E-06 -1.661771E-06 -1.760901E-06 -1.789502E-06 -1.678581E-06 11.4 -2.191330E-06 -1.448508E-06 -1.536818E-06 -1.570915E-06 -1.500716E-06 11.6 -1.870094E-06 -1.272687E-06 -1.360124E-06 -1.399085E-06 -1.353211E-06 11.8 -1.634789E-06 -1.153346E-06 -1.230761E-06 -1.266206E-06 -1.230581E-06 12.0 -1.463398E-06 -1.063947E-06 -1.128770E-06 -1.158100E-06 -1.126324E-06 12.2 -1.281512E-06 -9.711610E-07 -1.030660E-06 -1.058096E-06 -1.032576E-06 12.4 -1.085203E-06 -8.519555E-07 -9.147640E-07 -9.481958E-07 -9.395787E-07 12.6 -9.269660E-07 -7.274233E-07 -7.846565E-07 -8.217323E-07 -8.370054E-07 12.8 -7.978414E-07 -6.325845E-07 -6.767698E-07 -7.045145E-07 -7.241711E-07 13.0 -6.859212E-07 -5.541526E-07 -5.926568E-07 -6.154758E-07 -6.238670E-07 13.2 -5.889136E-07 -4.844588E-07 -5.186170E-07 -5.394816E-07 -5.475187E-07 13.4 -5.049847E-07 -4.226407E-07 -4.528867E-07 -4.719020E-07 -4.815907E-07 13.6 -4.324963E-07 -3.679873E-07 -3.947216E-07 -4.119756E-07 -4.226975E-07 13.8 -3.699907E-07 -3.198140E-07 -3.434056E-07 -3.590014E-07 -3.702638E-07 14.0 -3.161763E-07 -2.774713E-07 -2.982581E-07 -3.123074E-07 -3.237385E-07 14.2 -2.699123E-07 -2.403500E-07 -2.586402E-07 -2.712586E-07 -2.825827E-07 14.4 -2.301946E-07 -2.078850E-07 -2.239580E-07 -2.352615E-07 -2.462792E-07 14.6 -1.961418E-07 -1.795560E-07 -1.936646E-07 -2.037666E-07 -2.143388E-07 14.8 -1.669824E-07 -1.548880E-07 -1.672596E-07 -1.762694E-07 -1.863037E-07 15.0 -1.420429E-07 -1.334500E-07 -1.442886E-07 -1.523101E-07 -1.617501E-07 15.2 -1.207366E-07 -1.148531E-07 -1.243413E-07 -1.314717E-07 -1.402891E-07 15.4 -1.025536E-07 -9.874840E-08 -1.070488E-07 -1.133788E-07 -1.215658E-07 15.6 -8.705186E-08 -8.482411E-08 -9.208150E-08 -9.769454E-08 -1.052587E-07 15.8 -7.384869E-08 -7.280299E-08 -7.914569E-08 -8.411836E-08 -9.107826E-08 16.0 -6.261346E-08 -6.243932E-08 -6.798087E-08 -7.238294E-08 -7.876479E-08 16.2 -5.306107E-08 -5.351612E-08 -5.835679E-08 -6.225150E-08 -6.808644E-08 16.4 -4.494603E-08 -4.584240E-08 -5.007053E-08 -5.351497E-08 -5.883710E-08 16.6 -3.805730E-08 -3.925054E-08 -4.294382E-08 -4.598932E-08 -5.083411E-08 17.0 -2.726010E-08 -2.874419E-08 -3.156398E-08 -3.394464E-08 -3.794133E-08 17.5 -1.794379E-08 -1.945432E-08 -2.147175E-08 -2.322396E-08 -2.634923E-08 18.0 -1.180904E-08 -1.317276E-08 -1.462273E-08 -1.591697E-08 -1.835466E-08 18.5 -7.779844E-09 -8.939215E-09 -9.988137E-09 -1.094943E-08 -1.285157E-08 19.0 -5.138274E-09 -6.091605E-09 -6.856749E-09 -7.575990E-09 -9.064207E-09 19.5 -3.407971E-09 -4.177362E-09 -4.741116E-09 -5.284022E-09 -6.453538E-09 20.0 -2.274412E-09 -2.889397E-09 -3.309538E-09 -3.723455E-09 -4.647766E-09