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Atomic Reference Data
for Electronic Structure Calculations

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43   Tc   [Kr] 4d5 5s2
Energy   LDA     LSD     RLDA     ScRLDA
Etot = -4202.188857 -4202.325611 -4276.816006 -4276.146300
Ekin = 4199.331793 4199.490170 4431.276336 4404.321224
Ecoul = 1724.900741 1725.578215 1745.476452 1743.727394
Eenuc = -10004.790618 -10005.598726 -10334.761955 -10305.569977
Exc = -121.630774 -121.795270 -118.806839 -118.624940
1s -745.742024 -745.723044
-745.722687		 -762.361160 -762.762646
2s -104.567508 -104.559873
-104.536212		 -108.889374 -108.967653
2p -96.610210 -96.599794
-96.581672		 -100.569207
-96.259687		 -97.698491
3s -18.135303 -18.125551
-18.108993		 -18.953545 -18.965892
3p -15.041738 -15.032675
-15.014633		 -15.733946
-15.012213		 -15.250187
3d -9.339860 -9.333566
-9.309538		 -9.270275
-9.130882		 -9.193732
4s -2.550712 -2.588303
-2.475621		 -2.688542 -2.689941
4p -1.643230 -1.683092
-1.566272		 -1.740912
-1.631370		 -1.666630
4d -0.270262 -0.310116
-0.200026		 -0.257659
-0.247073		 -0.251274
5s -0.183636 -0.200501
-0.159363		 -0.192748 -0.192768


43   Tc+   [Kr] 4d5 5s1
Energy   LDA     LSD     RLDA     ScRLDA
Etot = -4201.892172 -4202.066863 -4276.507070 -4275.837375
Ekin = 4199.053108 4199.259233 4430.959137 4404.016895
Ecoul = 1713.242277 1714.049484 1733.621049 1731.870590
Eenuc = -9992.743169 -9993.727675 -10322.471285 -10293.290716
Exc = -121.444387 -121.647905 -118.615970 -118.434144
1s -746.019034 -745.997098
-745.995939		 -762.643375 -763.044733
2s -104.841831 -104.832214
-104.807542		 -109.168215 -109.246508
2p -96.884731 -96.872204
-96.853190		 -100.848299
-96.538709		 -97.977542
3s -18.410248 -18.398332
-18.380567		 -19.233013 -19.245406
3p -15.316668 -15.305465
-15.286175		 -16.013392
-15.291666		 -15.529684
3d -9.614581 -9.606267
-9.580895		 -9.549483
-9.410096		 -9.472991
4s -2.826509 -2.862533
-2.745184		 -2.968955 -2.970408
4p -1.919165 -1.957484
-1.835012		 -2.021555
-1.912074		 -1.947371
4d -0.541240 -0.581551
-0.455568		 -0.533057
-0.522121		 -0.526521
5s -0.414364 -0.439241
-0.356858		 -0.429799 -0.429861
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