23      V       [Ar] 3d^3 4s^2 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =   -941.678904      -941.742204      -946.412584      -946.401188
Ekin  =    940.377057       940.448753       954.735363       953.333535
Ecoul =    395.162964       395.485129       396.792977       396.662692
Eenuc =  -2234.347114     -2234.721054     -2255.484723     -2253.961805
Exc   =    -42.871811       -42.955032       -42.456201       -42.435610


     1s   -195.224014      -195.206982      -196.153745      -196.189602
                           -195.206912                                  

     2s    -21.815346       -21.815866       -22.047319       -22.052509
                            -21.776288                                  

     2p    -18.435189       -18.431423       -18.630785       -18.462667
                            -18.400931       -18.371462                 

     3s     -2.526904        -2.560189        -2.561732        -2.562193
                             -2.461068                                  

     3p     -1.610516        -1.643439        -1.634933        -1.614658
                             -1.546264        -1.604137                 

     3d     -0.204634        -0.234462        -0.200001        -0.198511
                             -0.150389        -0.197563                 

     4s     -0.175968        -0.186280        -0.177823        -0.177839
                             -0.161125                                  

 


23      V+       [Ar] 3d^4 


             LDA              LSD             RLDA             ScRLDA     
 
Etot  =   -941.419461      -941.523838      -946.143212      -946.131821
Ekin  =    940.123532       940.242989       954.452151       953.060225
Ecoul =    392.744048       393.304524       394.267929       394.138699
Eenuc =  -2231.379982     -2232.026429     -2252.376428     -2250.864289
Exc   =    -42.907059       -43.044921       -42.486864       -42.466456


     1s   -195.334509      -195.305623      -196.270189      -196.305777
                           -195.306005                                  

     2s    -21.894893       -21.886900       -22.132148       -22.137286
                            -21.840927                                  

     2p    -18.517795       -18.504753       -18.718753       -18.550428
                            -18.469465       -18.459216                 

     3s     -2.634074        -2.665743        -2.672886        -2.673353
                             -2.546454                                  

     3p     -1.723874        -1.755464        -1.752119        -1.732345
                             -1.637791        -1.722068                 

     3d     -0.342206        -0.371650        -0.341804        -0.340491
                             -0.267381        -0.339639                 

     4s