46      Pd      [Kr] 4d^10 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -4935.368406     -4935.368406     -5035.797726     -5034.762697
Ekin  =   4932.234516      4932.234516      5245.950928      5208.615789
Ecoul =   2031.645838      2031.645838      2057.310522      2054.981238
Eenuc = -11762.875805    -11762.875805    -12206.188696    -12165.717343
Exc   =   -136.372955      -136.372955      -132.870481      -132.642382


     1s   -860.134909      -860.134909      -882.650191      -883.175511
                           -860.134909                                  

     2s   -123.105078      -123.105078      -129.011482      -129.116947
                           -123.105078                                  

     2p   -114.408286      -114.408286      -119.848810      -115.962602
                           -114.408286      -114.041863                 

     3s    -22.060898       -22.060898       -23.249302       -23.266796
                            -22.060898                                  

     3p    -18.580798       -18.580798       -19.605164       -18.923424
                            -18.580798       -18.592062                 

     3d    -12.132197       -12.132197       -12.085637       -11.974563
                            -12.132197       -11.882662                 

     4s     -2.889173        -2.889173        -3.126694        -3.128465
                             -2.889173                                  

     4p     -1.815215        -1.815215        -1.995682        -1.883435
                             -1.815215        -1.831435                 

     4d     -0.160771        -0.160771        -0.168447        -0.158507
                             -0.160771        -0.152335                 

 


46     Pd+      [Kr] 4d^9 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -4935.018267     -4935.023835     -5035.452296     -5034.417428
Ekin  =   4931.911539      4931.917838      5245.640802      5208.302213
Ecoul =   2012.514675      2012.538053      2038.447071      2036.108621
Eenuc = -11743.433281    -11743.461987    -12187.023514    -12146.539938
Exc   =   -136.011201      -136.017740      -132.516655      -132.288323


     1s   -860.558354      -860.557793      -883.067493      -883.593044
                           -860.557661                                  

     2s   -123.530879      -123.533372      -129.431023      -129.536680
                           -123.527123                                  

     2p   -114.833819      -114.835600      -120.268065      -116.382099
                           -114.830772      -114.461188                 

     3s    -22.486920       -22.488485       -23.669198       -23.686881
                            -22.484192                                  

     3p    -19.006804       -19.008535       -20.025041       -19.343504
                            -19.003904       -19.011959                 

     3d    -12.558310       -12.560765       -12.505623       -12.394740
                            -12.554671       -12.302652                 

     4s     -3.311422        -3.322873        -3.543933        -3.545912
                             -3.298724                                  

     4p     -2.234607        -2.246176        -2.410596        -2.297900
                             -2.221813        -2.245360                 

     4d     -0.555050        -0.565667        -0.558236        -0.547511
                             -0.543390        -0.540468