59      Pr      [Xe] 4f^3 6s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -8917.664369     -8917.715777     -9221.365895     -9216.171403
Ekin  =   8913.501128      8913.557171      9888.073716      9758.787593
Ecoul =   3508.213147      3508.760410      3581.618082      3574.336016
Eenuc = -21136.965209    -21137.552323    -22495.980985    -22354.745678
Exc   =   -202.413435      -202.481035      -195.076708      -194.549335


     1s  -1457.338067     -1457.327886     -1525.849147     -1527.326295
                          -1457.327890                                  

     2s   -227.426363      -227.415839      -245.706737      -246.039228
                           -227.414619                                  

     2p   -215.418313      -215.407718      -232.498913      -220.506156
                           -215.407023      -214.962763                 

     3s    -48.924994       -48.930241       -53.019669       -53.090791
                            -48.894704                                  

     3p    -43.692548       -43.696493       -47.351116       -44.972935
                            -43.663692       -43.875357                 

     3d    -33.913996       -33.913993       -33.904279       -33.503301
                            -33.889431       -33.151144                 

     4s     -9.577447        -9.606341       -10.521410       -10.535271
                             -9.526174                                  

     4p     -7.613108        -7.642143        -8.394068        -7.874737
                             -7.562056        -7.640263                 

     4d     -4.154228        -4.183470        -4.129796        -4.056262
                             -4.103897        -3.997039                 

     4f     -0.155138        -0.181456        -0.063783        -0.056593
                             -0.113093        -0.051154                 

     5s     -1.296106        -1.314144        -1.431036        -1.433017
                             -1.270333                                  

     5p     -0.778046        -0.792704        -0.862043        -0.790223
                             -0.757460        -0.758830                 

     6s     -0.124465        -0.126268        -0.131544        -0.131564
                             -0.122207                                  

 


59     Pr+      [Xe] 4f^3 6s^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -8917.458395     -8917.518819     -9221.149206     -9215.954738
Ekin  =   8913.309005      8913.376962      9887.844063      9758.570943
Ecoul =   3495.795333      3496.388638      3569.039326      3561.748011
Eenuc = -21124.288658    -21124.933890    -22483.093706    -22341.862252
Exc   =   -202.274074      -202.350529      -194.938890      -194.411440


     1s  -1457.552000     -1457.541088     -1526.066262     -1527.543440
                          -1457.540746                                  

     2s   -227.639668      -227.628574      -245.922516      -246.255140
                           -227.627130                                  

     2p   -215.631707      -215.620494      -232.714886      -220.722199
                           -215.619587      -215.178650                 

     3s    -49.137596       -49.142623       -53.233954       -53.305246
                            -49.106708                                  

     3p    -43.905181       -43.908887       -47.565470       -45.187419
                            -43.875721       -44.089654                 

     3d    -34.126712       -34.126421       -34.118744       -33.717922
                            -34.101535       -33.365586                 

     4s     -9.790245        -9.818838       -10.736198       -10.750239
                             -9.737909                                  

     4p     -7.825942        -7.854664        -8.608958        -8.089901
                             -7.773774        -7.855291                 

     4d     -4.367138        -4.396047        -4.345101        -4.271773
                             -4.315549        -4.212393                 

     4f     -0.367585        -0.393763        -0.279211        -0.272126
                             -0.323115        -0.266462                 

     5s     -1.508969        -1.526472        -1.649090        -1.651231
                             -1.480218                                  

     5p     -0.989774        -1.004448        -1.079565        -1.007640
                             -0.965323        -0.975952                 

     6s     -0.290789        -0.301686        -0.305351        -0.305455
                             -0.272352