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
Lanthanum; La  [Xe] 5d1 6s2
LDA LSD RLDA ScRLDA
Etot -8217.575230 -8217.579298 -8478.132735 -8473.978141
Ekin 8213.607378 8213.612422 9045.718274 8936.988405
Ecoul 3215.018109 3215.065667 3282.143276 3275.859442
Eenuc -19455.494762 -19455.546080 -20621.816733 -20503.122928
Exc -190.705955 -190.711308 -184.177552 -183.703061
1s -1355.622446 -1355.621523 -1414.238370 -1415.519182
-1355.621542
2s -209.831151 -209.830784 -225.362814 -225.648465
-209.829679
2p -198.325243 -198.324749 -212.807534 -202.570581
-198.323898 -197.780426
3s -44.856283 -44.855739 -48.217421 -48.277625
-44.855024
3p -39.895838 -39.895298 -42.875827 -40.878717
-39.894572 -39.946028
3d -30.626696 -30.626258 -30.512299 -30.177403
-30.625322 -29.882186
4s -9.000543 -9.000478 -9.727067 -9.738810
-8.998866
4p -7.167724 -7.167673 -7.755776 -7.324636
-7.166038 -7.127246
4d -3.958010 -3.958090 -3.878919 -3.818473
-3.956200 -3.769413
5s -1.324936 -1.330050 -1.430505 -1.432252
-1.318100
5p -0.824498 -0.830735 -0.890466 -0.825697
-0.816518 -0.796879
5d -0.141085 -0.148472 -0.122652 -0.118483
-0.132171 -0.115678
6s -0.132233 -0.136490 -0.139768 -0.139796
-0.127232
Lanthanum; La+  [Xe] 5d2
LDA LSD RLDA ScRLDA
Etot -8217.386431 -8217.403944 -8477.902543 -8473.748015
Ekin 8213.424455 8213.446472 9045.406072 8936.719354
Ecoul 3208.098914 3208.263141 3274.147185 3267.865581
Eenuc -19448.224175 -19448.405940 -20613.322039 -20494.673290
Exc -190.685625 -190.707617 -184.133761 -183.659660
1s -1355.745732 -1355.742512 -1414.382499 -1415.662856
-1355.742613
2s -209.950231 -209.948183 -225.501831 -225.787379
-209.946058
2p -198.444608 -198.442302 -212.946943 -202.709738
-198.440678 -197.919643
3s -44.976537 -44.974134 -48.357297 -48.417477
-44.972790
3p -40.016074 -40.013679 -43.015680 -41.018564
-40.012315 -40.085906
3d -30.746528 -30.744338 -30.651767 -30.316864
-30.742557 -30.021674
4s -9.121635 -9.120174 -9.867545 -9.879285
-9.117125
4p -7.288798 -7.287360 -7.896232 -7.465095
-7.284276 -7.267709
4d -4.078965 -4.077772 -4.019203 -3.958753
-4.074222 -3.909691
5s -1.450975 -1.459418 -1.573704 -1.575449
-1.436388
5p -0.954402 -0.965075 -1.036644 -0.972742
-0.937295 -0.944320
5d -0.280144 -0.294034 -0.275127 -0.270896
-0.258932 -0.268012