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Atomic Reference Data
for Electronic Structure Calculations


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Cesium

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ASCII text
55   Cs   [Xe] 6s1

Energy   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
-1256.736717
-1306.692814 -1307.794166
2s -191.981873 -191.979944
-191.979840
-205.181744 -205.423539
2p -180.995344 -180.993410
-180.993314
-193.280344
-180.463172
-184.579273
3s -39.851584 -39.849682
-39.849537
-42.664209 -42.713602
3p -35.166423 -35.164518
-35.164377
-37.648059
-35.190893
-35.977860
3d -26.418398 -26.416487
-26.416357
-26.303331
-25.778945
-26.023693
4s -7.455966 -7.454159
-7.453861
-8.041899 -8.051051
4p -5.769326 -5.767535
-5.767209
-6.235768
-5.729797
-5.889463
4d -2.848386 -2.846645
-2.846231
-2.778603
-2.694396
-2.731851
5s -0.915819 -0.914597
-0.913345
-0.984885 -0.986167
5p -0.504903 -0.504222
-0.501909
-0.542233
-0.481197
-0.500089
6s -0.078699 -0.084555
-0.068328
-0.081614 -0.081620



55   Cs+   [Kr] 4d10 5s2 5p6

Energy   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
-1256.928252
-1306.888262 -1307.989649
2s -192.171307 -192.171307
-192.171307
-205.377059 -205.618939
2p -181.184757 -181.184757
-181.184757
-193.475623
-180.658453
-184.774638
3s -40.041005 -40.041005
-40.041005
-42.859509 -42.908994
3p -35.355842 -35.355842
-35.355842
-37.843354
-35.386184
-36.173245
3d -26.607827 -26.607827
-26.607827
-26.498631
-25.974244
-26.219085
4s -7.645151 -7.645151
-7.645151
-8.236970 -8.246218
4p -5.958484 -5.958484
-5.958484
-6.430813
-5.924819
-6.084588
4d -3.037466 -3.037466
-3.037466
-2.973541
-2.889325
-2.926880
5s -1.103627 -1.103627
-1.103627
-1.178699 -1.180083
5p -0.690892 -0.690892
-0.690892
-0.734379
-0.672548
-0.691810

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