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Atomic Reference Data
for Electronic Structure Calculations

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Xenon

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54   Xe   [Kr] 4d10 5s2 5p6
Energy   LDA     LSD     RLDA     ScRLDA
Etot = -7228.856107 -7228.856107 -7433.498065 -7430.574788
Ekin = 7225.097817 7225.097817 7874.305721 7791.610919
Ecoul = 2880.919348 2880.919348 2934.185566 2929.297187
Eenuc = -17159.159426 -17159.159426 -18071.845782 -17981.734879
Exc = -175.713845 -175.713845 -170.143570 -169.748015
1s -1208.688993 -1208.688993
-1208.688993		 -1254.713974 -1255.733395
2s -183.327495 -183.327495
-183.327495		 -195.477659 -195.699538
2p -172.599583 -172.599583
-172.599583		 -183.896903
-172.083686		 -175.890898
3s -37.415454 -37.415454
-37.415454		 -39.988929
 -40.033422
3p -32.867042 -32.867042
-32.867042		 -35.132640
-32.888012		 -33.608877
3d -24.378230 -24.378230
-24.378230		 -24.271177
-23.794336		 -24.016322
4s -6.678340 -6.678340
-6.678340		 -7.209464 -7.217400
4p -5.063802 -5.063802
-5.063802		 -5.484117
-5.032027		 -5.174908
4d -2.286666 -2.286666
-2.286666		 -2.228325
-2.155148		 -2.187468
5s -0.672086 -0.672086
-0.672086		 -0.731339 -0.732330
5p -0.309835 -0.309835
-0.309835		 -0.340204
-0.293849		 -0.308113


54   Xe+   [Kr] 4d10 5s2 5p5
Energy   LDA     LSD     RLDA     ScRLDA
Etot = -7228.388753 -7228.394173 -7433.030281 -7430.108271
Ekin = 7224.656455 7224.662949 7873.861082 7791.171545
Ecoul = 2861.406715 2861.434067 2914.532287 2909.646216
Eenuc = -17139.064033 -17139.096994 -18051.606607 -17961.504557
Exc = -175.387889 -175.394194 -169.817044 -169.421476
1s -1209.061750 -1209.061920
-1209.060363		 -1255.089428 -1256.108696
2s -183.698356 -183.698205
-183.697322		 -195.851121 -196.072911
2p -172.970726 -172.970781
-172.969482		 -184.270715
-172.457394		 -176.264543
3s -37.785274 -37.785433
-37.783979		 -40.361361 -40.405789
3p -33.236929 -33.237146
-33.235572		 -35.505145
-33.260456		 -33.981275
3d -24.748179 -24.748340
-24.746873		 -24.643669
-24.166810		 -24.388738
4s -7.045852 -7.046921
-7.043751		 -7.579734 -7.587621
4p -5.431089 -5.432314
-5.428833		 -5.854198
-5.401924		 -5.544818
4d -2.652978 -2.654909
-2.650006		 -2.597207
-2.523915		 -2.556249
5s -1.010265 -1.020703
-0.998427		 -1.074615 -1.075731
5p -0.630708 -0.640894
-0.619183		 -0.666924
-0.614994		 -0.631210
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