(1s 2 2s 2 2p 2 5d 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | 1.531250 | 1.50471748 |
| 2 | 4d | 1.345405 | -3.90590374 |
| 3 | 5d | 1.197167 | 3.04698459 |
| 4 | 3d | 3.473222 | .07175532 |
| 5 | 5d | 5.316134 | -.01462479 |
| 6 | 4d | 9.839393 | .00189871 |
| 7 | 5d | .936042 | -.02077735 |
| 8 | 5d | 23.872576 | .00002222 |
| 9 | 3d | 15.201763 | .00023632 |
| ORB.ENERGY,a.u. | -.744320 | ||
| NORM | 1.000004 | < R > | 5.540291 | < R2 > | 34.881482 | < 1/R > | .253402 | < 1/R**2 > | .136587 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.347524 | 1.20814576 |
| 2 | 3p | 5.243651 | -.23021847 |
| 3 | 2p | 12.031343 | .01880664 |
| 4 | 4p | 14.230193 | .00689175 |
| 5 | 5p | 20.711305 | -.00159518 |
| 6 | 5p | 3.248286 | .00039521 |
| 7 | 4p | 57.322369 | .00002734 |
| ORB.ENERGY,a.u. | -7.999800 | ||
| NORM | 1.000000 | < R > | .544911 | < R2 > | .362212 | < 1/R > | 2.341771 | < 1/R**2 > | 7.507790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.777752 | .37565478 |
| 2 | 2s | 4.907506 | -.82964031 |
| 3 | 3s | 5.087297 | -.27020272 |
| 4 | 4s | 19.208538 | .00270681 |
| 5 | 3s | 11.958200 | .01571343 |
| 6 | 5s | 5.045351 | -.03947185 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610178 | < R2 > | .437609 | < 1/R > | 2.384972 | < 1/R**2 > | 23.137909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173915 |
| 2 | 1s | 17.176478 | .08816906 |
| 3 | 2s | 10.302413 | .01904520 |
| 4 | 3s | 13.083704 | -.01555861 |
| 5 | 5s | 28.487893 | .00121231 |
| 6 | 4s | 69.236507 | -.00003984 |
| 7 | 5s | 8.932582 | .00063753 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022658 | < 1/R > | 11.635030 | < 1/R**2 > | 273.176607 |
Total Energy= -180.74307537 a.u.
Kinetic Energy= 180.74405766 a.u.
Potential Energy= -361.48713303 a.u.
Virial Ratio = -1.99999457