(1s 2 2s 2 2p 2 3d 1 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 2.156739 | 1.10826491 |
| 2 | 3d | 5.575230 | .02592579 |
| 3 | 4d | 2.763402 | -.13552057 |
| 4 | 5d | 16.267077 | -.00024972 |
| 5 | 5d | 2.045318 | .01889125 |
| ORB.ENERGY,a.u. | -2.106300 | ||
| NORM | 1.000000 | < R > | 1.618863 | < R2 > | 3.027937 | < 1/R > | .732350 | < 1/R**2 > | .659292 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.260450 | 1.22166952 |
| 2 | 3p | 5.018218 | -.25353537 |
| 3 | 2p | 11.481538 | .02485495 |
| 4 | 4p | 13.383829 | .01085518 |
| 5 | 5p | 18.869700 | -.00229572 |
| 6 | 5p | 3.183190 | .00109051 |
| 7 | 4p | 51.004524 | .00004939 |
| ORB.ENERGY,a.u. | -7.490500 | ||
| NORM | 1.000000 | < R > | .547205 | < R2 > | .365794 | < 1/R > | 2.334810 | < 1/R**2 > | 7.470738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.760938 | .37558173 |
| 2 | 2s | 4.917371 | -.82937010 |
| 3 | 3s | 5.055616 | -.27053791 |
| 4 | 4s | 19.299109 | .00266057 |
| 5 | 3s | 11.857888 | .01641515 |
| 6 | 5s | 4.947161 | -.04259403 |
| 7 | 5s | 2.966660 | -.00039398 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612168 | < R2 > | .440927 | < 1/R > | 2.378101 | < 1/R**2 > | 23.018096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156901 | .91173619 |
| 2 | 1s | 17.176059 | .08816877 |
| 3 | 2s | 10.308829 | .01904002 |
| 4 | 3s | 13.082996 | -.01555828 |
| 5 | 5s | 28.489563 | .00121204 |
| 6 | 4s | 69.183816 | -.00004002 |
| 7 | 5s | 8.890504 | .00064509 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129912 | < R2 > | .022657 | < 1/R > | 11.635298 | < 1/R**2 > | 273.186851 |
Total Energy= -182.09368649 a.u.
Kinetic Energy= 182.10621601 a.u.
Potential Energy= -364.19990250 a.u.
Virial Ratio = -1.99993120