69      Tm      [Xe] 4f^13 6s^2


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -12936.786494    -12936.793549    -13549.258539    -13534.832864
Ekin  =  12931.649735     12931.657274     14952.782514     14663.344745
Ecoul =   5196.611124      5196.639086      5325.995668      5311.599603
Eenuc = -30799.515253    -30799.549658    -33574.513283    -33257.081306
Exc   =   -265.532099      -265.540251      -253.523438      -252.695905


     1s  -2022.471608     -2022.471100     -2161.695703     -2164.566898
                          -2022.471098                                  

     2s   -327.057120      -327.057174      -364.972056      -365.644921
                           -327.055961                                  

     2p   -312.510608      -312.510436      -348.208317      -323.356963
                           -312.509693      -312.615471                 

     3s    -72.873753       -72.883376       -82.043390       -82.196460
                            -72.862853                                  

     3p    -66.239338       -66.248091       -74.605801       -69.355355
                            -66.229322       -67.084276                 

     3d    -53.835494       -53.841782       -54.309585       -53.423051
                            -53.827974       -52.656666                 

     4s    -13.865665       -13.881551       -16.131024       -16.161007
                            -13.848680                                  

     4p    -11.187151       -11.202899       -13.131685       -11.929997
                            -11.170322       -11.425675                 

     4d     -6.350307        -6.365772        -6.467966        -6.292904
                             -6.333799        -6.156136                 

     4f     -0.283120        -0.296820        -1.954274        -0.126951
                             -0.268602                                  

     5s     -1.649990        -1.655951        -1.141668        -1.958059
                             -1.643809        -0.931971                 

     5p     -0.950748        -0.955349        -0.151744        -0.991646
                             -0.946002        -0.107642                 

     6s     -0.135953        -0.136311        -0.147784        -0.147723
                             -0.135592                                  

 


69     Tm+      [Xe] 4f^13 6s^1


             LDA              LSD             RLDA             ScRLDA     
 
Etot  = -12936.560508    -12936.575112    -13549.013746    -13534.588204
Ekin  =  12931.438594     12931.456466     14952.503484     14663.090044
Ecoul =   5180.450824      5180.595005      5309.117998      5294.696188
Eenuc = -30783.068255    -30783.227386    -33557.265752    -33239.832796
Exc   =   -265.381672      -265.399197      -253.369476      -252.541641


     1s  -2022.709046     -2022.706921     -2161.944181     -2164.815544
                          -2022.706573                                  

     2s   -327.293851      -327.292248      -365.219042      -365.892244
                           -327.290830                                  

     2p   -312.747446      -312.745609      -348.455520      -323.604403
                           -312.744667      -312.862542                 

     3s    -73.109762       -73.117675       -82.288887       -82.442362
                            -73.097108                                  

     3p    -66.475381       -66.482429       -74.851376       -69.601281
                            -66.463602       -67.329775                 

     3d    -54.071622       -54.076219       -54.555254       -53.669105
                            -54.062319       -52.902303                 

     4s    -14.102106       -14.116333       -16.377080       -16.407485
                            -14.083300                                  

     4p    -11.423630       -11.437734       -13.377814       -12.176688
                            -11.404963       -11.672011                 

     4d     -6.586861        -6.600726        -6.714496        -6.539893
                             -6.568472        -6.402740                 

     4f     -0.519677        -0.532111        -0.398882        -0.374457
                             -0.502949        -0.354729                 

     5s     -1.887056        -1.892492        -2.204175        -2.208298
                             -1.878079                                  

     5p     -1.186671        -1.191540        -1.391161        -1.241081
                             -1.178293        -1.180877                 

     6s     -0.319884        -0.331064        -0.346056        -0.346089
                             -0.301963