(1s 2 2s 2 5p 1 ) 2 P Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.353788 | 3.31660612 |
| 2 | 3p | 2.121175 | -4.69574080 |
| 3 | 4p | 1.678641 | 5.54116022 |
| 4 | 5p | 1.627299 | -5.21183162 |
| 5 | 2p | 7.322028 | .05345062 |
| 6 | 5p | 7.829362 | .01752409 |
| 7 | 4p | 10.059166 | .01327873 |
| 8 | 5p | 1.208167 | .01562565 |
| ORB.ENERGY,a.u. | -1.351000 | ||
| NORM | 1.000003 | < R > | 4.323264 | < R2 > | 21.035111 | < 1/R > | .337864 | < 1/R**2 > | .406687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.177502 | .37679326 |
| 2 | 2s | 4.730561 | -.79123874 |
| 3 | 3s | 6.023337 | -.28504694 |
| 4 | 5s | 11.479937 | -.02157800 |
| 5 | 4s | 23.491692 | .00350796 |
| 6 | 5s | 33.845548 | -.00063497 |
| 7 | 4s | 2.029898 | .00155554 |
| 8 | 4s | 1.854434 | -.00130033 |
| ORB.ENERGY,a.u. | -11.584000 | ||
| NORM | 1.000000 | < R > | .575249 | < R2 > | .386749 | < 1/R > | 2.539124 | < 1/R**2 > | 25.993105 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.267020 | .93387921 |
| 2 | 1s | 18.255964 | .06466143 |
| 3 | 2s | 11.777184 | .02007950 |
| 4 | 3s | 13.487595 | -.01631145 |
| 5 | 5s | 26.517942 | .00112773 |
| 6 | 4s | 58.367488 | -.00009267 |
| ORB.ENERGY,a.u. | -60.066000 |
| NORM | 1.000000 | < R > | .129287 | < R2 > | .022392 | < 1/R > | 11.671088 | < 1/R**2 > | 274.488083 |
Total Energy= -163.31659750 a.u.
Kinetic Energy= 163.31657507 a.u.
Potential Energy= -326.63317257 a.u.
Virial Ratio = -2.00000014