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Atomic Reference Data
for Electronic Structure Calculations


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Radium

Key to notation
ASCII text
88   Ra   [Rn] 7s2

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -23088.688083 -23088.688083 -24980.062201 -24905.739724
Ekin = 23081.867528 23081.867528 29829.160514 28696.848125
Ecoul = 9045.587062 9045.587062 9435.543436 9387.182637
Eenuc = -54820.474650 -54820.474650 -63874.100552 -62620.553123
Exc = -395.668023 -395.668023 -370.665599 -369.217363

1s -3362.736563 -3362.736563
-3362.736563
-3793.581837 -3802.484706
2s -577.101208 -577.101208
-577.101208
-697.162810 -699.435484
2p -557.513214 -557.513214
-557.513214
-671.475213
-560.109138
-590.162055
3s -142.632426 -142.632426
-142.632426
-173.015134 -173.619418
3p -133.123250 -133.123250
-133.123250
-161.338908
-135.955553
-142.883978
3d -115.306476 -115.306476
-115.306476
-117.166082
-111.870993
-114.362488
4s -34.525628 -34.525628
-34.525628
-42.412609 -42.573968
4p -30.221208 -30.221208
-30.221208
-37.222438
-30.746448
-32.502039
4d -22.208125 -22.208125
-22.208125
-22.381087
-21.171663
-21.735595
4f -11.181066 -11.181066
-11.181066
-10.167512
-9.865421
-10.046721
5s -7.139137 -7.139137
-7.139137
-8.832818 -8.875065
5p -5.547203 -5.547203
-5.547203
-6.896142
-5.464147
-5.852153
5d -2.819853 -2.819853
-2.819853
-2.655697
-2.451623
-2.548961
6s -1.051350 -1.051350
-1.051350
-1.280047 -1.288559
6p -0.634674 -0.634674
-0.634674
-0.766500
-0.559124
-0.613729
7s -0.113732 -0.113732
-0.113732
-0.125329 -0.125440



88   Ra+   [Rn] 7s1

Energy   LDA     LSD     RLDA     ScRLDA

Etot = -23088.500536 -23088.505772 -24979.855529 -24905.532817
Ekin = 23081.693063 23081.700536 29828.913874 28696.627134
Ecoul = 9028.545232 9028.637594 9417.007094 9368.604039
Eenuc = -54803.204503 -54803.302950 -63855.258026 -62601.694046
Exc = -395.534328 -395.540953 -370.518471 -369.069944

1s -3362.932334 -3362.931324
-3362.931121
-3793.794989 -3802.698191
2s -577.296878 -577.295835
-577.295717
-697.375646 -699.648778
2p -557.708882 -557.707836
-557.707723
-671.688036
-560.321941
-590.375323
3s -142.828057 -142.827025
-142.826897
-173.227903 -173.832669
3p -133.318884 -133.317851
-133.317725
-161.551677
-136.168311
-143.097221
3d -115.502117 -115.501078
-115.500961
-117.378845
-112.083754
-114.575734
4s -34.721157 -34.720173
-34.719963
-42.625281 -42.787128
4p -30.416735 -30.415753
-30.415539
-37.435108
-30.959093
-32.715181
4d -22.403650 -22.402670
-22.402452
-22.593729
-21.384297
-21.948722
4f -11.376591 -11.375612
-11.375393
-10.380143
-10.078048
-10.259840
5s -7.334241 -7.333442
-7.332912
-9.045103 -9.087842
5p -5.742247 -5.741482
-5.740891
-7.108375
-5.676259
-6.064794
5d -3.014704 -3.014059
-3.013252
-2.867578
-2.663447
-2.761304
6s -1.244126 -1.244288
-1.242073
-1.490285 -1.499314
6p -0.825940 -0.826756
-0.823186
-0.975427
-0.765998
-0.821802
7s -0.264219 -0.272347
-0.251764
-0.291327 -0.291778

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