Key to notation
55      Cs      [Xe] 6s^1

LDA LSD RLDA ScRLDA Etot = -7550.557710 -7550.561866 -7772.666770 -7769.373337 Ekin = 7546.734488 7546.740568 8252.878117 8162.159299 Ecoul = 2988.242134 2988.348332 3046.118498 3040.791832 Eenuc = -17904.906060 -17905.016432 -18896.908146 -18797.990281 Exc = -180.628271 -180.634333 -174.755239 -174.334186 1s -1256.738791 -1256.736881 -1306.692814 -1307.794166 -1256.736717 2s -191.981873 -191.979944 -205.181744 -205.423539 -191.979840 2p -180.995344 -180.993410 -193.280344 -184.579273 -180.993314 -180.463172 3s -39.851584 -39.849682 -42.664209 -42.713602 -39.849537 3p -35.166423 -35.164518 -37.648059 -35.977860 -35.164377 -35.190893 3d -26.418398 -26.416487 -26.303331 -26.023693 -26.416357 -25.778945 4s -7.455966 -7.454159 -8.041899 -8.051051 -7.453861 4p -5.769326 -5.767535 -6.235768 -5.889463 -5.767209 -5.729797 4d -2.848386 -2.846645 -2.778603 -2.731851 -2.846231 -2.694396 5s -0.915819 -0.914597 -0.984885 -0.986167 -0.913345 5p -0.504903 -0.504222 -0.542233 -0.500089 -0.501909 -0.481197 6s -0.078699 -0.084555 -0.081614 -0.081620 -0.068328 55 Cs+ [Kr] 4d^10 5s^2 5p^6
LDA LSD RLDA ScRLDA Etot = -7550.416737 -7550.416737 -7772.520145 -7769.226699 Ekin = 7546.603628 7546.603628 8252.729073 8162.016491 Ecoul = 2977.950098 2977.950098 3035.506584 3030.174906 Eenuc = -17894.442887 -17894.442887 -18886.105496 -18787.188866 Exc = -180.527576 -180.527576 -174.650307 -174.229230 1s -1256.928252 -1256.928252 -1306.888262 -1307.989649 -1256.928252 2s -192.171307 -192.171307 -205.377059 -205.618939 -192.171307 2p -181.184757 -181.184757 -193.475623 -184.774638 -181.184757 -180.658453 3s -40.041005 -40.041005 -42.859509 -42.908994 -40.041005 3p -35.355842 -35.355842 -37.843354 -36.173245 -35.355842 -35.386184 3d -26.607827 -26.607827 -26.498631 -26.219085 -26.607827 -25.974244 4s -7.645151 -7.645151 -8.236970 -8.246218 -7.645151 4p -5.958484 -5.958484 -6.430813 -6.084588 -5.958484 -5.924819 4d -3.037466 -3.037466 -2.973541 -2.926880 -3.037466 -2.889325 5s -1.103627 -1.103627 -1.178699 -1.180083 -1.103627 5p -0.690892 -0.690892 -0.734379 -0.691810 -0.690892 -0.672548
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