57      La      [Xe] 5d^1 6s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -8217.575230     -8217.579298     -8478.132735     -8473.978141
Ekin  =   8213.607378      8213.612422      9045.718274      8936.988405
Ecoul =   3215.018109      3215.065667      3282.143276      3275.859442
Eenuc = -19455.494762    -19455.546080    -20621.816733    -20503.122928
Exc   =   -190.705955      -190.711308      -184.177552      -183.703061


     1s  -1355.622446     -1355.621523     -1414.238370     -1415.519182
                          -1355.621542                                  

     2s   -209.831151      -209.830784      -225.362814      -225.648465
                           -209.829679                                  

     2p   -198.325243      -198.324749      -212.807534      -202.570581
                           -198.323898      -197.780426                 

     3s    -44.856283       -44.855739       -48.217421       -48.277625
                            -44.855024                                  

     3p    -39.895838       -39.895298       -42.875827       -40.878717
                            -39.894572       -39.946028                 

     3d    -30.626696       -30.626258       -30.512299       -30.177403
                            -30.625322       -29.882186                 

     4s     -9.000543        -9.000478        -9.727067        -9.738810
                             -8.998866                                  

     4p     -7.167724        -7.167673        -7.755776        -7.324636
                             -7.166038        -7.127246                 

     4d     -3.958010        -3.958090        -3.878919        -3.818473
                             -3.956200        -3.769413                 

     5s     -1.324936        -1.330050        -1.430505        -1.432252
                             -1.318100                                  

     5p     -0.824498        -0.830735        -0.890466        -0.825697
                             -0.816518        -0.796879                 

     5d     -0.141085        -0.148472        -0.122652        -0.118483
                             -0.132171        -0.115678                 

     6s     -0.132233        -0.136490        -0.139768        -0.139796
                             -0.127232                                  

 


57     La+      [Xe] 5d^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -8217.386431     -8217.403944     -8477.902543     -8473.748015
Ekin  =   8213.424455      8213.446472      9045.406072      8936.719354
Ecoul =   3208.098914      3208.263141      3274.147185      3267.865581
Eenuc = -19448.224175    -19448.405940    -20613.322039    -20494.673290
Exc   =   -190.685625      -190.707617      -184.133761      -183.659660


     1s  -1355.745732     -1355.742512     -1414.382499     -1415.662856
                          -1355.742613                                  

     2s   -209.950231      -209.948183      -225.501831      -225.787379
                           -209.946058                                  

     2p   -198.444608      -198.442302      -212.946943      -202.709738
                           -198.440678      -197.919643                 

     3s    -44.976537       -44.974134       -48.357297       -48.417477
                            -44.972790                                  

     3p    -40.016074       -40.013679       -43.015680       -41.018564
                            -40.012315       -40.085906                 

     3d    -30.746528       -30.744338       -30.651767       -30.316864
                            -30.742557       -30.021674                 

     4s     -9.121635        -9.120174        -9.867545        -9.879285
                             -9.117125                                  

     4p     -7.288798        -7.287360        -7.896232        -7.465095
                             -7.284276        -7.267709                 

     4d     -4.078965        -4.077772        -4.019203        -3.958753
                             -4.074222        -3.909691                 

     5s     -1.450975        -1.459418        -1.573704        -1.575449
                             -1.436388                                  

     5p     -0.954402        -0.965075        -1.036644        -0.972742
                             -0.937295        -0.944320                 

     5d     -0.280144        -0.294034        -0.275127        -0.270896
                             -0.258932        -0.268012