(1s 2 2s 2 2p 2 4d 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.725875 | 1.32418745 |
| 2 | 4d | 1.518105 | -1.86096950 |
| 3 | 3d | 3.501618 | .07970242 |
| 4 | 5d | 5.277744 | -.01977719 |
| 5 | 4d | 11.057354 | .00145013 |
| 6 | 5d | 26.687735 | .00005160 |
| 7 | 3d | 19.121393 | .00012496 |
| ORB.ENERGY,a.u. | -1.162600 | ||
| NORM | .999999 | < R > | 3.360956 | < R2 > | 12.961949 | < 1/R > | .397397 | < 1/R**2 > | .263408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.333221 | 1.19794185 |
| 2 | 3p | 5.195082 | -.22384840 |
| 3 | 2p | 11.711679 | .02177917 |
| 4 | 4p | 13.487103 | .00882785 |
| 5 | 5p | 19.348790 | -.00174272 |
| 6 | 5p | 2.488702 | .00074503 |
| 7 | 4p | 52.104724 | .00003983 |
| ORB.ENERGY,a.u. | -7.833300 | ||
| NORM | 1.000000 | < R > | .545145 | < R2 > | .362600 | < 1/R > | 2.341120 | < 1/R**2 > | 7.504450 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.771980 | .37573443 |
| 2 | 2s | 4.912220 | -.82930262 |
| 3 | 3s | 5.080795 | -.27029240 |
| 4 | 4s | 19.195833 | .00267860 |
| 5 | 3s | 11.936916 | .01600092 |
| 6 | 5s | 5.039816 | -.04076165 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610627 | < R2 > | .438334 | < 1/R > | 2.383332 | < 1/R**2 > | 23.108827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173974 |
| 2 | 1s | 17.176901 | .08816695 |
| 3 | 2s | 10.304668 | .01904486 |
| 4 | 3s | 13.084121 | -.01555790 |
| 5 | 5s | 28.494745 | .00121141 |
| 6 | 4s | 69.192073 | -.00003962 |
| 7 | 5s | 8.929767 | .00064094 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022658 | < 1/R > | 11.635057 | < 1/R**2 > | 273.177688 |
Total Energy= -181.16842276 a.u.
Kinetic Energy= 181.16236148 a.u.
Potential Energy= -362.33078425 a.u.
Virial Ratio = -2.00003346