# BKMP2 lambda=0: V_0(H3) [5 H2-molecule sizes]: r, R in bohrs, V in hartrees. # # # R V0(r= .90000) V0(r=1.28000) V0(r=1.44900) V0(r=1.61800) V0(r=2.00000) #==== ------------- ------------- ============= ------------- ------------- 1.6 1.148781E-01 1.040498E-01 9.584889E-02 8.605170E-02 5.891263E-02 1.8 8.440278E-02 7.431671E-02 6.665269E-02 5.724172E-02 3.123090E-02 2.0 6.303571E-02 5.495080E-02 4.852726E-02 4.037562E-02 1.662094E-02 2.2 4.746377E-02 4.155102E-02 3.657754E-02 3.004981E-02 9.717630E-03 2.4 3.576436E-02 3.176388E-02 2.814157E-02 2.323787E-02 6.865238E-03 2.6 2.681380E-02 2.435257E-02 2.183524E-02 1.833858E-02 5.871791E-03 2.8 1.993832E-02 1.863939E-02 1.695192E-02 1.455814E-02 5.537343E-03 3.0 1.467904E-02 1.420763E-02 1.310913E-02 1.152017E-02 5.284043E-03 3.2 1.068426E-02 1.076411E-02 1.006818E-02 9.038556E-03 4.894346E-03 3.4 7.676323E-03 8.085792E-03 7.657916E-03 7.004866E-03 4.339945E-03 3.6 5.437855E-03 6.001355E-03 5.748487E-03 5.343763E-03 3.677430E-03 3.8 3.798105E-03 4.382266E-03 4.241871E-03 3.998429E-03 2.983320E-03 4.0 2.619840E-03 3.133762E-03 3.064685E-03 2.924523E-03 2.322607E-03 4.2 1.790165E-03 2.184656E-03 2.160134E-03 2.084991E-03 1.738505E-03 4.4 1.216071E-03 1.478137E-03 1.480711E-03 1.445473E-03 1.252322E-03 4.6 8.230395E-04 9.655858E-04 9.836228E-04 9.718434E-04 8.674650E-04 4.8 5.543368E-04 6.039234E-04 6.294585E-04 6.304126E-04 5.751149E-04 5.0 3.693406E-04 3.555088E-04 3.830514E-04 3.898584E-04 3.601108E-04 5.2 2.406055E-04 1.890034E-04 2.149295E-04 2.233535E-04 2.058389E-04 5.4 1.503095E-04 7.990289E-05 1.020985E-04 1.097431E-04 9.734899E-05 5.6 8.696506E-05 1.018252E-05 2.773102E-05 3.345141E-05 2.265143E-05 5.8 4.294938E-05 -3.280662E-05 -1.996077E-05 -1.651002E-05 -2.728274E-05 6.0 1.294328E-05 -5.773153E-05 -4.911758E-05 -4.782320E-05 -5.911986E-05 6.2 -6.933739E-06 -7.053576E-05 -6.543739E-05 -6.596364E-05 -7.782939E-05 6.4 -1.957318E-05 -7.535635E-05 -7.300613E-05 -7.494089E-05 -8.717716E-05 6.6 -2.712562E-05 -7.510184E-05 -7.479031E-05 -7.772501E-05 -9.002854E-05 6.8 -3.116464E-05 -7.179898E-05 -7.292084E-05 -7.648940E-05 -8.853525E-05 7.0 -3.281664E-05 -6.681923E-05 -6.888325E-05 -7.277889E-05 -8.427464E-05 7.2 -3.287166E-05 -6.105206E-05 -6.367436E-05 -6.765494E-05 -7.837311E-05 7.4 -3.187677E-05 -5.504837E-05 -5.793976E-05 -6.182611E-05 -7.161718E-05 7.6 -3.021051E-05 -4.913529E-05 -5.208682E-05 -5.575647E-05 -6.454601E-05 7.8 -2.813756E-05 -4.349990E-05 -4.636841E-05 -4.974632E-05 -5.752239E-05 8.0 -2.584588E-05 -3.824468E-05 -4.093878E-05 -4.398700E-05 -5.078375E-05 8.2 -2.347036E-05 -3.342088E-05 -3.588838E-05 -3.859613E-05 -4.447798E-05 8.4 -2.110740E-05 -2.904778E-05 -3.126487E-05 -3.364001E-05 -3.868859E-05 8.6 -1.882438E-05 -2.512382E-05 -2.708637E-05 -2.914861E-05 -3.345304E-05 8.8 -1.666624E-05 -2.163361E-05 -2.335039E-05 -2.512621E-05 -2.877640E-05 9.0 -1.466078E-05 -1.855279E-05 -2.004041E-05 -2.155942E-05 -2.464169E-05 9.2 -1.282295E-05 -1.585166E-05 -1.713095E-05 -1.842342E-05 -2.101782E-05 9.4 -1.115840E-05 -1.349797E-05 -1.459145E-05 -1.568658E-05 -1.786545E-05 9.6 -9.666295E-06 -1.145892E-05 -1.238905E-05 -1.331400E-05 -1.514128E-05 9.8 -8.341437E-06 -9.702436E-06 -1.049051E-05 -1.126980E-05 -1.280098E-05 10.0 -7.175686E-06 -8.197912E-06 -8.863449E-06 -9.518719E-06 -1.080131E-05 10.2 -6.158865E-06 -6.916579E-06 -7.477017E-06 -8.027086E-06 -9.101342E-06 10.4 -5.279353E-06 -5.831670E-06 -6.302388E-06 -6.763484E-06 -7.663343E-06 10.6 -4.524618E-06 -4.918561E-06 -5.313035E-06 -5.699079E-06 -6.452708E-06 10.8 -3.881850E-06 -4.154809E-06 -4.484660E-06 -4.807248E-06 -5.436179E-06 11.0 -3.338515E-06 -3.519335E-06 -3.793657E-06 -4.061207E-06 -4.580455E-06 11.2 -2.881566E-06 -2.989117E-06 -3.213812E-06 -3.432714E-06 -3.860562E-06 11.4 -2.492943E-06 -2.539373E-06 -2.722528E-06 -2.902801E-06 -3.259010E-06 11.6 -2.150811E-06 -2.157859E-06 -2.309715E-06 -2.459741E-06 -2.757355E-06 11.8 -1.849582E-06 -1.837413E-06 -1.964216E-06 -2.089556E-06 -2.338997E-06 12.0 -1.588064E-06 -1.567297E-06 -1.674090E-06 -1.779510E-06 -1.989712E-06 12.2 -1.361930E-06 -1.337965E-06 -1.429009E-06 -1.518641E-06 -1.697360E-06 12.4 -1.174483E-06 -1.143456E-06 -1.221034E-06 -1.297859E-06 -1.451581E-06 12.6 -1.025270E-06 -9.841015E-07 -1.047312E-06 -1.111601E-06 -1.243839E-06 12.8 -9.010309E-07 -8.572966E-07 -9.077794E-07 -9.592737E-07 -1.068755E-06 13.0 -7.952924E-07 -7.524382E-07 -7.940793E-07 -8.363812E-07 -9.250240E-07 13.2 -7.050637E-07 -6.641972E-07 -6.986888E-07 -7.339471E-07 -8.079933E-07 13.4 -6.278623E-07 -5.896563E-07 -6.182322E-07 -6.476398E-07 -7.099994E-07 13.6 -5.615939E-07 -5.264241E-07 -5.501066E-07 -5.746482E-07 -6.272070E-07 13.8 -5.044993E-07 -4.725257E-07 -4.921617E-07 -5.126554E-07 -5.569863E-07 14.0 -4.551056E-07 -4.263358E-07 -4.426258E-07 -4.597513E-07 -4.971708E-07 14.2 -4.121829E-07 -3.865202E-07 -4.000436E-07 -4.143655E-07 -4.459754E-07 14.4 -3.747069E-07 -3.519862E-07 -3.632216E-07 -3.752090E-07 -4.019326E-07 14.6 -3.418258E-07 -3.218406E-07 -3.311835E-07 -3.412260E-07 -3.638372E-07 14.8 -3.128321E-07 -2.953542E-07 -3.031313E-07 -3.115526E-07 -3.307003E-07 15.0 -2.871387E-07 -2.719323E-07 -2.784133E-07 -2.854824E-07 -3.017113E-07 15.2 -2.642580E-07 -2.510900E-07 -2.564974E-07 -2.624381E-07 -2.762056E-07 15.4 -2.437855E-07 -2.324314E-07 -2.369491E-07 -2.419474E-07 -2.536378E-07 15.6 -2.253847E-07 -2.156336E-07 -2.194135E-07 -2.236240E-07 -2.335605E-07 15.8 -2.087752E-07 -2.004321E-07 -2.035996E-07 -2.071512E-07 -2.156057E-07 16.0 -1.937233E-07 -1.866101E-07 -1.892688E-07 -1.922688E-07 -1.994701E-07 16.2 -1.800330E-07 -1.739890E-07 -1.762246E-07 -1.787623E-07 -1.849033E-07 16.4 -1.675398E-07 -1.624211E-07 -1.643046E-07 -1.664545E-07 -1.716977E-07 16.6 -1.561048E-07 -1.517837E-07 -1.533736E-07 -1.551981E-07 -1.596803E-07 17.0 -1.359556E-07 -1.329057E-07 -1.340460E-07 -1.353667E-07 -1.386560E-07 17.5 -1.149579E-07 -1.130213E-07 -1.137838E-07 -1.146750E-07 -1.169286E-07 18.0 -9.764482E-08 -9.644296E-08 -9.696111E-08 -9.757057E-08 -9.913138E-08 18.5 -8.325754E-08 -8.253229E-08 -8.289058E-08 -8.331343E-08 -8.440790E-08 19.0 -7.123252E-08 -7.081109E-08 -7.106345E-08 -7.136152E-08 -7.213963E-08 19.5 -6.113752E-08 -6.090619E-08 -6.108737E-08 -6.130106E-08 -6.186264E-08 20.0 -5.263247E-08 -5.251756E-08 -5.265019E-08 -5.280610E-08 -5.321796E-08