(1s 2 2s 2 2p 2 4d 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | 3.514698 | .08874044 |
| 2 | 3d | 1.763164 | 1.24062602 |
| 3 | 4d | 1.523597 | -1.78675742 |
| 4 | 5d | 5.254358 | -.01899535 |
| 5 | 5d | 25.114261 | .00001915 |
| 6 | 4d | 9.777336 | .00262236 |
| 7 | 3d | 14.802720 | .00034598 |
| ORB.ENERGY,a.u. | -1.172000 | ||
| NORM | .999999 | < R > | 3.330949 | < R2 > | 12.733381 | < 1/R > | .401750 | < 1/R**2 > | .271047 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.334827 | 1.21758922 |
| 2 | 3p | 5.247954 | -.23900542 |
| 3 | 2p | 11.649807 | .02021118 |
| 4 | 4p | 12.675403 | .00469664 |
| 5 | 5p | 25.519270 | -.00035289 |
| 6 | 5p | 3.113085 | .01156021 |
| 7 | 4p | 2.694336 | -.01259954 |
| ORB.ENERGY,a.u. | -7.842700 | ||
| NORM | 1.000000 | < R > | .545448 | < R2 > | .363028 | < 1/R > | 2.340077 | < 1/R**2 > | 7.498666 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.771324 | .37575968 |
| 2 | 2s | 4.912602 | -.82934746 |
| 3 | 3s | 5.079762 | -.27026866 |
| 4 | 4s | 19.193369 | .00268347 |
| 5 | 3s | 11.936488 | .01600239 |
| 6 | 5s | 5.041338 | -.04079478 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610644 | < R2 > | .438360 | < 1/R > | 2.383259 | < 1/R**2 > | 23.107399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156765 | .91173466 |
| 2 | 1s | 17.175640 | .08817185 |
| 3 | 2s | 10.301501 | .01904676 |
| 4 | 3s | 13.082754 | -.01555867 |
| 5 | 5s | 28.478546 | .00121251 |
| 6 | 4s | 69.230794 | -.00004037 |
| 7 | 5s | 8.916528 | .00063841 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129915 | < R2 > | .022658 | < 1/R > | 11.635092 | < 1/R**2 > | 273.178997 |
Total Energy= -181.16862448 a.u.
Kinetic Energy= 181.17174778 a.u.
Potential Energy= -362.34037227 a.u.
Virial Ratio = -1.99998276