39      Y       [Kr] 4d^1 5s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -3329.520604     -3329.525142     -3378.030204     -3377.673981
Ekin  =   3326.984254      3326.989782      3476.837608      3460.017556
Ecoul =   1384.603788      1384.663406      1398.703210      1397.559798
Eenuc =  -7937.187681     -7937.250826     -8151.743067     -8133.552916
Exc   =   -103.920964      -103.927504      -101.827955      -101.698418


     1s   -605.631981      -605.630296      -616.344879      -616.616721
                           -605.630355                                  

     2s    -81.789102       -81.788453       -84.552543       -84.603040
                            -81.786362                                  

     2p    -74.803201       -74.802287       -77.313923       -75.460167
                            -74.800732       -74.515446                 

     3s    -12.992217       -12.991310       -13.477985       -13.485139
                            -12.989836                                  

     3p    -10.399926       -10.399089       -10.799420       -10.506650
                            -10.397473       -10.360925                 

     3d     -5.671499        -5.670962        -5.610158        -5.566395
                             -5.668732        -5.531402                 

     4s     -1.697124        -1.702817        -1.759572        -1.760330
                             -1.688259                                  

     4p     -1.024490        -1.031230        -1.063152        -1.026671
                             -1.014616        -1.009027                 

     4d     -0.108691        -0.116558        -0.099743        -0.097770
                             -0.098390        -0.096514                 

     5s     -0.150727        -0.155925        -0.155081        -0.155102
                             -0.144191                                  
 


39      Y+       [Kr] 5s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -3329.271533     -3329.271533     -3377.795087     -3377.438820
Ekin  =   3326.758539      3326.758539      3476.653369      3459.819803
Ecoul =   1371.080579      1371.080579      1385.411096      1384.264274
Eenuc =  -7923.484849     -7923.484849     -8138.318816     -8120.111887
Exc   =   -103.625803      -103.625803      -101.540735      -101.411010


     1s   -605.987944      -605.987944      -616.693596      -616.965719
                           -605.987944                                  

     2s    -82.152632       -82.152632       -84.909005       -84.959611
                            -82.152632                                  

     2p    -75.166067       -75.166067       -77.669654       -75.816114
                            -75.166067       -74.871319                 

     3s    -13.352295       -13.352295       -13.831492       -13.838714
                            -13.352295                                  

     3p    -10.760041       -10.760041       -11.152970       -10.860217
                            -10.760041       -10.714400                 

     3d     -6.032290        -6.032290        -5.964289        -5.920573
                             -6.032290        -5.885502                 

     4s     -2.043541        -2.043541        -2.101468        -2.102294
                             -2.043541                                  

     4p     -1.363796        -1.363796        -1.398635        -1.361308
                             -1.363796        -1.343147                 

     5s     -0.380036        -0.380036        -0.385374        -0.385433
                             -0.380036