30      Zn      [Ar] 3d^10 4s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1776.573850     -1776.573850     -1791.814585     -1791.749887
Ekin  =   1774.693645      1774.693645      1821.243270      1816.442682
Ecoul =    774.056522       774.056522       778.401582       778.037755
Eenuc =  -4257.166094     -4257.166094     -4324.261826     -4319.083631
Exc   =    -68.157922       -68.157922       -67.197611       -67.146693


     1s   -344.969756      -344.969756      -348.238248      -348.334782
                           -344.969756                                  

     2s    -41.531323       -41.531323       -42.377969       -42.393385
                            -41.531323                                  

     2p    -36.648765       -36.648765       -37.399138       -36.828060
                            -36.648765       -36.527739                 

     3s     -4.573041        -4.573041        -4.713596        -4.714959
                             -4.573041                                  

     3p     -3.022363        -3.022363        -3.130973        -3.055978
                             -3.022363        -3.018311                 

     3d     -0.398944        -0.398944        -0.392096        -0.384209
                             -0.398944        -0.378946                 

     4s     -0.222725        -0.222725        -0.228129        -0.228145
                             -0.222725                                  

 


30     Zn+      [Ar] 3d^10 4s^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -1776.207876     -1776.217890     -1791.440900     -1791.376213
Ekin  =   1774.348340      1774.361242      1820.874392      1816.081656
Ecoul =    763.680544       763.742286       767.921182       767.556971
Eenuc =  -4246.298734     -4246.370208     -4313.261417     -4308.090621
Exc   =    -67.938026       -67.951210       -66.975058       -66.924219


     1s   -345.325662      -345.324225      -348.598196      -348.694606
                           -345.322296                                  

     2s    -41.880292       -41.877846       -42.730214       -42.745633
                            -41.877849                                  

     2p    -36.998361       -36.996087       -37.752077       -37.180940
                            -36.995746       -36.880595                 

     3s     -4.927803        -4.926226        -5.071726        -5.073125
                             -4.925164                                  

     3p     -3.377383        -3.376153        -3.489392        -3.414547
                             -3.374419        -3.376900                 

     3d     -0.751534        -0.752900        -0.748226        -0.740320
                             -0.745840        -0.734979                 

     4s     -0.516174        -0.532602        -0.526244        -0.526288
                             -0.492331