Properties | More Info | Isotopes | Spectra
Compounds | Reactions | Production
Atomic: M.A.C. | Reference
Diagrams: Shell | Atomic Radius | Electron || Images
Atomic Reference Data for Electronic Structure Calculations
Cesium; Cs  [Xe] 6s1
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
Cesium; Cs+  [Kr] 4d10 5s2 5p6
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