54      Xe      [Kr] 4d^10 5s^2 5p^6


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -7228.856107     -7228.856107     -7433.498065     -7430.574788
Ekin  =   7225.097817      7225.097817      7874.305721      7791.610919
Ecoul =   2880.919348      2880.919348      2934.185566      2929.297187
Eenuc = -17159.159426    -17159.159426    -18071.845782    -17981.734879
Exc   =   -175.713845      -175.713845      -170.143570      -169.748015


     1s  -1208.688993     -1208.688993     -1254.713974     -1255.733395
                          -1208.688993                                  

     2s   -183.327495      -183.327495      -195.477659      -195.699538
                           -183.327495                                  

     2p   -172.599583      -172.599583      -183.896903      -175.890898
                           -172.599583      -172.083686                 

     3s    -37.415454       -37.415454       -39.988929       -40.033422
                            -37.415454                                  

     3p    -32.867042       -32.867042       -35.132640       -33.608877
                            -32.867042       -32.888012                 

     3d    -24.378230       -24.378230       -24.271177       -24.016322
                            -24.378230       -23.794336                 

     4s     -6.678340        -6.678340        -7.209464        -7.217400
                             -6.678340                                  

     4p     -5.063802        -5.063802        -5.484117        -5.174908
                             -5.063802        -5.032027                 

     4d     -2.286666        -2.286666        -2.228325        -2.187468
                             -2.286666        -2.155148                 

     5s     -0.672086        -0.672086        -0.731339        -0.732330
                             -0.672086                                  

     5p     -0.309835        -0.309835        -0.340204        -0.308113
                             -0.309835        -0.293849                 

 


54     Xe+      [Kr] 4d^10 5s^2 5p^5


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -7228.388753     -7228.394173     -7433.030281     -7430.108271
Ekin  =   7224.656455      7224.662949      7873.861082      7791.171545
Ecoul =   2861.406715      2861.434067      2914.532287      2909.646216
Eenuc = -17139.064033    -17139.096994    -18051.606607    -17961.504557
Exc   =   -175.387889      -175.394194      -169.817044      -169.421476


     1s  -1209.061750     -1209.061920     -1255.089428     -1256.108696
                          -1209.060363                                  

     2s   -183.698356      -183.698205      -195.851121      -196.072911
                           -183.697322                                  

     2p   -172.970726      -172.970781      -184.270715      -176.264543
                           -172.969482      -172.457394                 

     3s    -37.785274       -37.785433       -40.361361       -40.405789
                            -37.783979                                  

     3p    -33.236929       -33.237146       -35.505145       -33.981275
                            -33.235572       -33.260456                 

     3d    -24.748179       -24.748340       -24.643669       -24.388738
                            -24.746873       -24.166810                 

     4s     -7.045852        -7.046921        -7.579734        -7.587621
                             -7.043751                                  

     4p     -5.431089        -5.432314        -5.854198        -5.544818
                             -5.428833        -5.401924                 

     4d     -2.652978        -2.654909        -2.597207        -2.556249
                             -2.650006        -2.523915                 

     5s     -1.010265        -1.020703        -1.074615        -1.075731
                             -0.998427                                  

     5p     -0.630708        -0.640894        -0.666924        -0.631210
                             -0.619183        -0.614994