|
|
|
Atomic Reference Data |
Lead |
Key to notation ASCII text |
|||
| 82 Pb [Xe] 4f14 5d10 6s2 6p2 | ||||
| Energy | LDA | LSD | RLDA | ScRLDA |
|---|---|---|---|---|
| Etot = | -19518.993145 | -19519.010773 | -20872.887097 | -20827.188652 |
| Ekin = | 19512.662684 | 19512.685289 | 24203.982259 | 23456.921585 |
| Ecoul = | 7781.994459 | 7782.343079 | 8060.985186 | 8027.843592 |
| Eenuc = | -46459.627742 | -46459.993126 | -52804.004616 | -51979.373091 |
| Exc = | -354.022546 | -354.046015 | -333.849926 | -332.580738 |
| 1s | -2901.078061 | -2901.073968 -2901.073264 |
-3209.559491 | -3215.862876 |
| 2s | -488.843335 | -488.839044 -488.838798 |
-574.220773 | -575.785358 |
| 2p | -470.877785 | -470.873595 -470.873136 |
-551.761782 -472.409787 |
-494.685076 |
| 3s | -116.526852 | -116.522662 -116.522270 |
-137.902276 | -138.297315 |
| 3p | -107.950391 | -107.946232 -107.945774 |
-127.717013 -109.992083 |
-115.001988 |
| 3d | -91.889924 | -91.885734 -91.885331 |
-93.196164 -89.401978 |
-91.172486 |
| 4s | -25.753330 | -25.749334 -25.748612 |
-31.188199 | -31.282373 |
| 4p | -21.990564 | -21.986589 -21.985825 |
-26.770858 -22.420348 |
-23.632578 |
| 4d | -15.030026 | -15.026070 -15.025272 |
-15.202782 -14.386516 |
-14.756230 |
| 4f | -5.592532 | -5.588614 -5.587748 |
-4.998502 -4.813673 |
-4.913467 |
| 5s | -4.206797 | -4.203583 -4.201576 |
-5.264036 | -5.282191 |
| 5p | -2.941657 | -2.938665 -2.936250 |
-3.748596 -2.927281 |
-3.150698 |
| 5d | -0.902393 | -0.901432 -0.894992 |
-0.839121 -0.743864 |
-0.784774 |
| 6s | -0.357187 | -0.369628 -0.335143 |
-0.448677 | -0.450774 |
| 6p | -0.141831 | -0.154876 -0.119481 |
-0.176692 -0.121877 |
-0.136111 |
| 82 Pb+ [Xe] 4f14 5d10 6s2 6p1 | ||||
| Energy | LDA | LSD | RLDA | ScRLDA |
| Etot = | -19518.738347 | -19518.743995 | -20872.631826 | -20826.937914 |
| Ekin = | 19512.426823 | 19512.434090 | 24203.736015 | 23456.695435 |
| Ecoul = | 7759.233689 | 7759.306054 | 8037.654925 | 8004.624000 |
| Eenuc = | -46436.583491 | -46436.661756 | -52780.381969 | -51955.883807 |
| Exc = | -353.815368 | -353.822384 | -333.640797 | -332.373541 |
| 1s | -2901.359475 | -2901.358750 -2901.358306 |
-3209.848016 | -3216.149825 |
| 2s | -489.123890 | -489.123028 -489.122871 |
-574.508135 | -576.071304 |
| 2p | -471.158460 | -471.157663 -471.157372 |
-552.049374 -472.697230 |
-494.971135 |
| 3s | -116.807238 | -116.806431 -116.806183 |
-138.189451 | -138.583105 |
| 3p | -108.230799 | -108.230013 -108.229722 |
-128.004220 -110.279269 |
-115.287794 |
| 3d | -92.170309 | -92.169504 -92.169247 |
-93.483295 -89.689106 |
-91.458233 |
| 4s | -26.033586 | -26.032894 -26.032437 |
-31.475289 | -31.568084 |
| 4p | -22.270819 | -22.270141 -22.269657 |
-27.057952 -22.707427 |
-23.918281 |
| 4d | -15.310263 | -15.309596 -15.309090 |
-15.489837 -14.673565 |
-15.041903 |
| 4f | -5.872744 | -5.872100 -5.871552 |
-5.285530 -5.100697 |
-5.199117 |
| 5s | -4.486572 | -4.486343 -4.485066 |
-5.550862 | -5.567634 |
| 5p | -3.221355 | -3.221265 -3.219725 |
-4.035446 -3.214138 |
-3.436175 |
| 5d | -1.180875 | -1.182037 -1.177989 |
-1.124743 -1.029080 |
-1.068883 |
| 6s | -0.611068 | -0.620400 -0.599125 |
-0.716099 | -0.717507 |
| 6p | -0.374139 | -0.384038 -0.361311 |
-0.423787 -0.354490 |
-0.372662 |
|
Return to periodic table HTML or ASCII |