31      Ga      [Ar] 3d^10 4s^2 4p^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1921.846456     -1921.851924     -1939.453568     -1939.373561
Ekin  =   1919.894783      1919.901853      1973.731946      1968.130697
Ecoul =    833.754978       833.827780       838.823760       838.406098
Eenuc =  -4603.576824     -4603.654197     -4681.147880     -4675.106069
Exc   =    -71.919393       -71.927360       -70.861393       -70.804286


     1s   -370.170639      -370.168538      -373.967124      -374.076649
                           -370.167766                                  

     2s    -45.200869       -45.198492       -46.182210       -46.200012
                            -45.198361                                  

     2p    -40.093339       -40.091119       -40.966245       -40.303964
                            -40.090664       -39.956917                 

     3s     -5.241645        -5.239570        -5.403079        -5.404759
                             -5.238913                                  

     3p     -3.584666        -3.582704        -3.710005        -3.621332
                             -3.581826        -3.576816                 

     3d     -0.736204        -0.735030        -0.724702        -0.714634
                             -0.732588        -0.707694                 

     4s     -0.328019        -0.336369        -0.336354        -0.336407
                             -0.314666                                  

     4p     -0.101634        -0.110200        -0.103490        -0.100475
                             -0.088291        -0.099023                 
 


31     Ga+      [Ar] 3d^10 4s^2  


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1921.629140     -1921.629140     -1939.237290     -1939.157347
Ekin  =   1919.695296      1919.695296      1973.535556      1967.933458
Ecoul =    824.445451       824.445451       829.494635       829.077072
Eenuc =  -4594.040819     -4594.040819     -4671.596090     -4665.553576
Exc   =    -71.729068       -71.729068       -70.671391       -70.614302


     1s   -370.479900      -370.479900      -374.276929      -374.386453
                           -370.479900                                  

     2s    -45.507206       -45.507206       -46.489075       -46.506871
                            -45.507206                                  

     2p    -40.400085       -40.400085       -41.273560       -40.611241
                            -40.400085       -40.264186                 

     3s     -5.548636        -5.548636        -5.710621        -5.712300
                             -5.548636                                  

     3p     -3.891719        -3.891719        -4.017625        -3.928972
                             -3.891719        -3.884469                 

     3d     -1.042431        -1.042431        -1.031543        -1.021454
                             -1.042431        -1.014502                 

     4s     -0.601070        -0.601070        -0.611228        -0.611291
                             -0.601070