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Atomic Reference Data for Electronic Structure Calculations, Sample Data File for U in RLDA
| Energy | RLDA |
|---|---|
| Etot = | -28001.132325 |
| Ekin = | 34199.392283 |
| Ecoul = | 10455.164247 |
| Eenuc = | -72259.684711 |
| Exc = | -396.004144 |
| 1sP = | -4223.419021 |
| 2sP = | -789.489782 |
| 2pM = | -761.374476 |
| 2pP = | -622.848095 |
| 3sP = | -199.429806 |
| 3pM = | -186.663713 |
| 3pP = | -154.701027 |
| 3dM = | -134.541180 |
| 3dP = | -128.016657 |
| 4sP = | -50.788948 |
| 4pM = | -45.037171 |
| 4pP = | -36.688610 |
| 4dM = | -27.529306 |
| 4dP = | -25.985429 |
| 4fM = | -13.889514 |
| 4fP = | -13.485470 |
| 5sP = | -11.295587 |
| 5pM = | -9.057964 |
| 5pP = | -7.069296 |
| 5dM = | -3.797416 |
| 5dP = | -3.501217 |
| 5fM = | -0.146788 |
| 5fP = | -0.116047 |
| 6sP = | -1.748040 |
| 6pM = | -1.101119 |
| 6pP = | -0.775784 |
| 6dM = | -0.103041 |
| 6dP = | -0.084802 |
| 7sP = | -0.160947 |
Created October 15, 2015, Updated April 25, 2017