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Atomic Reference Data
for Electronic Structure Calculations


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Terbium

Key to notation
ASCII text
65   Tb   [Xe] 4f9 6s2

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -11222.941975 -11223.108038 -11691.122751 -11681.366585
Ekin = 11218.204349 11218.382978 12744.671952 12532.655261
Ecoul = 4461.481521 4462.363967 4565.424762 4554.327455
Eenuc = -26663.609136 -26664.639800 -28772.145665 -28539.978120
Exc = -239.018708 -239.215183 -229.073799 -228.371181

1s -1785.331942 -1785.315755
-1785.315745
-1891.452864 -1893.674390
2s -285.121013 -285.105576
-285.101154
-313.800455 -314.313726
2p -271.590585 -271.574578
-271.571898
-298.519600
-271.393731
-279.742144
3s -62.851563 -62.875000
-62.787923
-69.614117 -69.728559
3p -56.785113 -56.805076
-56.725249
-62.911572
-57.308299
-59.032854
3d -45.443863 -45.453795
-45.394805
-45.676259
-44.447095
-45.019302
4s -12.120486 -12.180788
-12.024894
-13.761724 -13.784277
4p -9.735637 -9.795624
-9.640917
-11.128417
-9.873696
-10.252858
4d -5.467662 -5.526953
-5.374971
-5.516153
-5.288505
-5.389194
4f -0.256311 -0.309644
-0.177029
-0.139876
-0.110906
-0.123712
5s -1.513669 -1.541675
-1.476851
-1.739497 -1.742537
5p -0.887230 -0.909413
-0.858835
-1.028669
-0.867617
-0.914824
6s -0.131677 -0.133768
-0.129356
-0.141152 -0.141147



65   Tb+   [Xe] 4f9 6s1

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -11222.723412 -11222.899249 -11690.889131 -11681.133026
Ekin = 11218.000275 11218.191484 12744.414842 12532.416804
Ecoul = 4446.825694 4447.860600 4550.248664 4539.135697
Eenuc = -26648.677157 -26649.871656 -28756.627919 -28524.463579
Exc = -238.872225 -239.079677 -228.924718 -228.221948

1s -1785.560738 -1785.542254
-1785.541904
-1891.690206 -1893.911806
2s -285.349123 -285.331441
-285.326810
-314.036425 -314.549907
2p -271.818797 -271.800519
-271.797638
-298.755766
-271.629791
-279.978442
3s -63.078952 -63.100240
-63.013016
-69.848678 -69.963382
3p -57.012535 -57.030345
-56.95036
-63.146204
-57.542867
-59.267702
3d -45.671370 -45.679141
-45.619991
-45.910987
-44.681796
-45.254274
4s -12.348250 -12.406339
-12.250128
-13.996833 -14.019659
4p -9.963440 -10.021219
-9.866158
-11.363605
-10.109052
-10.488434
4d -5.695544 -5.752646
-5.600210
-5.751715
-5.524125
-5.625060
4f -0.484116 -0.535522
-0.401518
-0.375890
-0.346863
-0.359955
5s -1.741853 -1.768204
-1.701054
-1.977859 -1.981130
5p -1.114277 -1.135542
-1.081015
-1.266500
-1.104900
-1.152521
6s -0.309105 -0.321192
-0.288882
-0.330047 -0.330132

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