44      Ru      [Kr] 4d^7 5s^1 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -4438.981228     -4439.044607     -4521.545440     -4520.768581
Ekin  =   4436.031047      4436.105649      4693.065137      4662.961423
Ecoul =   1824.800920      1825.194396      1846.844764      1844.917123
Eenuc = -10573.323640    -10573.779082    -10938.009162    -10905.397430
Exc   =   -126.489556      -126.565569      -123.446179      -123.249697


     1s   -782.918621      -782.908936      -801.355841      -801.795613
                           -782.908052                                  

     2s   -110.536054      -110.533692      -115.348068      -115.434678
                           -110.518645                                  

     2p   -102.333649      -102.329562      -106.750607      -103.567797
                           -102.317908      -101.979903                 

     3s    -19.366692       -19.362561       -20.300869       -20.314771
                            -19.351718                                  

     3p    -16.145217       -16.141513       -16.941526       -16.397573
                            -16.129785       -16.131035                 

     3d    -10.195668       -10.193708       -10.135962       -10.048944
                            -10.178406        -9.977303                 

     4s     -2.628363        -2.651582        -2.799086        -2.800598
                             -2.584960                                  

     4p     -1.667549        -1.691875        -1.792655        -1.707262
                             -1.622948        -1.667074                 

     4d     -0.210375        -0.235493        -0.206292        -0.199041
                             -0.165695        -0.194378                 

     5s     -0.152834        -0.168740        -0.165124        -0.165117
                             -0.123625                                  
 


44     Ru+      [Kr] 4d^7  


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =  -4438.718980     -4438.767375     -4521.266740     -4520.489922
Ekin  =   4435.785139      4435.840688      4692.767494      4662.681151
Ecoul =   1813.183666      1813.421502      1835.001989      1833.072821
Eenuc = -10561.354346    -10561.638263    -10925.752439    -10893.156486
Exc   =   -126.333439      -126.391302      -123.283783      -123.087408


     1s   -783.186773      -783.180393      -801.629956      -802.069549
                           -783.180208                                  

     2s   -110.800618      -110.801719      -115.617701      -115.704319
                           -110.786553                                  

     2p   -102.598471      -102.597798      -107.020575      -103.837698
                           -102.586159      -102.249775                 

     3s    -19.632564       -19.631750       -20.571785       -20.585739
                            -19.621253                                  

     3p    -16.411062       -16.410686       -17.212405       -16.668523
                            -16.399279       -16.401945                 

     3d    -10.461175       -10.462604       -10.406485       -10.319530
                            -10.447452       -10.247843                 

     4s     -2.897512        -2.924481        -3.073243        -3.074817
                             -2.857698                                  

     4p     -1.937515        -1.965429        -2.067697        -1.982572
                             -1.896860        -1.942415                 

     4d     -0.477077        -0.503895        -0.478223        -0.470806
                             -0.439152        -0.465921