50      Sn      [Kr] 4d^10 5s^2 5p^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -6019.953353     -6019.972345     -6165.265632     -6163.492534
Ekin  =   6016.512431      6016.536637      6473.774440      6417.478715
Ecoul =   2438.225987      2438.471160      2476.231135      2472.824352
Eenuc = -14319.014475    -14319.277472    -14964.044067    -14902.872335
Exc   =   -155.677296      -155.702670      -151.227140      -150.923266


     1s  -1026.762169     -1026.757550     -1059.406319     -1060.145644
                          -1026.756295                                  

     2s   -151.523991      -151.519055      -160.105749      -160.260500
                           -151.518556                                  

     2p   -141.821093      -141.816346      -149.766139      -144.111626
                           -141.815449      -141.368700                 

     3s    -29.125969       -29.121399       -30.891860       -30.920177
                            -29.120303                                  

     3p    -25.117913       -25.113387       -26.656377       -25.619497
                            -25.112196       -25.122080                 

     3d    -17.657276       -17.652681       -17.573124       -17.400975
                            -17.651615       -17.254826                 

     4s     -4.546335        -4.542607        -4.892751        -4.896669
                             -4.540200                                  

     4p     -3.211998        -3.208499        -3.477532        -3.286467
                             -3.205664        -3.198057                 

     4d     -1.004952        -1.003200        -0.976190        -0.953808
                             -0.996903        -0.937712                 

     5s     -0.369349        -0.382894        -0.395936        -0.396243
                             -0.344764                                  

     5p     -0.144450        -0.158298        -0.153892        -0.142153
                             -0.120154        -0.136895                 

 


50     Sn+      [Kr] 4d^10 5s^2 5p^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -6019.690952     -6019.697098     -6165.004519     -6163.231923
Ekin  =   6016.269330      6016.277186      6473.534757      6417.239488
Ecoul =   2423.723365      2423.774975      2461.629379      2458.229132
Eenuc = -14304.219171    -14304.277136    -14949.154396    -14887.989970
Exc   =   -155.464476      -155.472123      -151.014260      -150.710573


     1s  -1027.058821     -1027.058072     -1059.704914     -1060.444077
                          -1027.057277                                  

     2s   -151.819114      -151.818139      -160.402748      -160.557355
                           -151.817819                                  

     2p   -142.116430      -142.115579      -150.063409      -144.408702
                           -142.115007      -141.665903                 

     3s    -29.420760       -29.419999       -31.188544       -31.216726
                            -29.419302                                  

     3p    -25.412732       -25.412000       -26.953092       -25.916066
                            -25.411242       -25.418779                 

     3d    -17.952052       -17.951277       -17.869764       -17.697479
                            -17.950599       -17.551462                 

     4s     -4.840552        -4.840283        -5.188963        -5.192747
                             -4.838746                                  

     4p     -3.506142        -3.506017        -3.773712        -3.582496
                             -3.504204        -3.494210                 

     4d     -1.298071        -1.299029        -1.271323        -1.248754
                             -1.295045        -1.232740                 

     5s     -0.634789        -0.645119        -0.665778        -0.666049
                             -0.621410                                  

     5p     -0.387411        -0.398124        -0.401486        -0.386507
                             -0.373385        -0.379742