Key to notation
87 Fr [Rn] 7s^1
LDA LSD RLDA ScRLDA
Etot = -22470.319655 -22470.323520 -24261.181280 -24192.530442
Ekin = 22463.573810 22463.579489 28819.097006 27761.954723
Ecoul = 8837.303934 8837.453898 9206.355254 9160.816665
Eenuc = -53382.425806 -53382.579676 -61922.004994 -60752.096807
Exc = -388.771593 -388.777231 -364.628547 -363.205023
1s -3283.263399 -3283.261687 -3691.237709 -3699.648866
-3283.261590
2s -561.730450 -561.728724 -675.289255 -677.427454
-561.728668
2p -542.414240 -542.412511 -650.172747 -573.443020
-542.412459 -544.812574
3s -137.959632 -137.957911 -166.650089 -167.214847
-137.957850
3p -128.607136 -128.605413 -155.233928 -137.871313
-128.605354 -131.296207
3d -111.085223 -111.083499 -112.844554 -110.185474
-111.083444 -107.826644
4s -32.861013 -32.859316 -40.283439 -40.432525
-32.859215
4p -28.648131 -28.646434 -35.227647 -30.812973
-28.646332 -29.158472
4d -20.812462 -20.810766 -20.988027 -20.380773
-20.810662 -19.852751
4f -10.050648 -10.048954 -9.119091 -9.005802
-10.048848 -8.839399
5s -6.509516 -6.507913 -8.081188 -8.119568
-6.507655
5p -4.973280 -4.971697 -6.217936 -5.263711
-4.971404 -4.906749
5d -2.360991 -2.359477 -2.219772 -2.124168
-2.359062 -2.037131
6s -0.841848 -0.840790 -1.043095 -1.050624
-0.839629
6p -0.466197 -0.465682 -0.577338 -0.453399
-0.463455 -0.409133
7s -0.076176 -0.081674 -0.085606 -0.085542
-0.066668
87 Fr+ [Xe] 4f^14 5d^10 6s^2 6p^6
LDA LSD RLDA ScRLDA
Etot = -22470.183728 -22470.183728 -24261.027659 -24192.376822
Ekin = 22463.447757 22463.447757 28818.902880 27761.785930
Ecoul = 8821.753536 8821.753536 9189.354145 9143.765467
Eenuc = -53366.711580 -53366.711580 -61904.768004 -60734.835381
Exc = -388.673442 -388.673442 -364.516679 -363.092839
1s -3283.443556 -3283.443556 -3691.434864 -3699.846447
-3283.443556
2s -561.910592 -561.910592 -675.486204 -677.624957
-561.910592
2p -542.594368 -542.594368 -650.369660 -573.640485
-542.594368 -545.009485
3s -138.139785 -138.139785 -166.847037 -167.412368
-138.139785
3p -128.787287 -128.787287 -155.430868 -138.068826
-128.787287 -131.493145
3d -111.265376 -111.265376 -113.041493 -110.382990
-111.265376 -108.023584
4s -33.041123 -33.041123 -40.480348 -40.630014
-33.041123
4p -28.828239 -28.828239 -35.424554 -31.010451
-28.828239 -29.355367
4d -20.992568 -20.992568 -21.184919 -20.578244
-20.992568 -20.049639
4f -10.230755 -10.230755 -9.315978 -9.203269
-10.230755 -9.036283
5s -6.689396 -6.689396 -8.277887 -8.316850
-6.689396
5p -5.153124 -5.153124 -6.414601 -5.460910
-5.153124 -5.103343
5d -2.540721 -2.540721 -2.416227 -2.321195
-2.540721 -2.233556
6s -1.020428 -1.020428 -1.238757 -1.246904
-1.020428
6p -0.642931 -0.642931 -0.771603 -0.646666
-0.642931 -0.600928
Return to periodic table