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
Xenon; Xe  [Kr] 4d10 5s2 5p6
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 -1254.713974 -1255.733395
-1208.688993
2s -183.327495 -183.327495 -195.477659 -195.699538
-183.327495
2p -172.599583 -172.599583 -183.896903 -175.890898
-172.599583 -172.083686
3s -37.415454 -37.415454 -39.988929 -40.033422
-37.415454
3p -32.867042 -32.867042 -35.132640 -33.608877
-32.867042 -32.888012
3d -24.378230 -24.378230 -24.271177 -24.016322
-24.378230 -23.794336
4s -6.678340 -6.678340 -7.209464 -7.217400
-6.678340
4p -5.063802 -5.063802 -5.484117 -5.174908
-5.063802 -5.032027
4d -2.286666 -2.286666 -2.228325 -2.187468
-2.286666 -2.155148
5s -0.672086 -0.672086 -0.731339 -0.732330
-0.672086
5p -0.309835 -0.309835 -0.340204 -0.308113
-0.309835 -0.293849
Xenon; Xe+  [Kr] 4d10 5s2 5p5
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 -1255.089428 -1256.108696
-1209.060363
2s -183.698356 -183.698205 -195.851121 -196.072911
-183.697322
2p -172.970726 -172.970781 -184.270715 -176.264543
-172.969482 -172.457394
3s -37.785274 -37.785433 -40.361361 -40.405789
-37.783979
3p -33.236929 -33.237146 -35.505145 -33.981275
-33.235572 -33.260456
3d -24.748179 -24.748340 -24.643669 -24.388738
-24.746873 -24.166810
4s -7.045852 -7.046921 -7.579734 -7.587621
-7.043751
4p -5.431089 -5.432314 -5.854198 -5.544818
-5.428833 -5.401924
4d -2.652978 -2.654909 -2.597207 -2.556249
-2.650006 -2.523915
5s -1.010265 -1.020703 -1.074615 -1.075731
-0.998427
5p -0.630708 -0.640894 -0.666924 -0.631210
-0.619183 -0.614994