(1s 2 2s 2 2p 4 4s 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 4s- electron | |
| 1 | 1s | 10.804921 | .06171669 |
| 2 | 2s | 1.816383 | -1.12198916 |
| 3 | 3s | 1.938234 | 2.22363024 |
| 4 | 4s | 1.192812 | -1.53008078 |
| 5 | 5s | 2.847505 | -.27125533 |
| 6 | 4s | 8.877017 | -.03880449 |
| 7 | 5s | 16.852719 | -.00506860 |
| 8 | 5s | 1.136573 | .11890811 |
| 9 | 4s | 23.115691 | -.00146048 |
| 10 | 5s | 65.914449 | -.00000588 |
| 11 | 2s | 45.203866 | .00003272 |
| ORB.ENERGY,a.u. | -.729800 | ||
| NORM | 1.000001 | < R > | 4.144808 | < R2 > | 19.311956 | < 1/R > | .336522 | < 1/R**2 > | .900903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.643402 | 1.27756975 |
| 2 | 2p | 9.026472 | .07511539 |
| 3 | 3p | 4.324420 | -.35709360 |
| 4 | 4p | 10.287069 | .01780690 |
| 5 | 5p | 29.650748 | -.00014546 |
| 6 | 5p | 2.610408 | .01423634 |
| 7 | 4p | 2.263477 | -.01599318 |
| ORB.ENERGY,a.u. | -4.798600 | ||
| NORM | 1.000000 | < R > | .604283 | < R2 > | .452520 | < 1/R > | 2.150108 | < 1/R**2 > | 6.455209 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.798482 | .30344129 |
| 2 | 2s | 3.848411 | -.76695621 |
| 3 | 3s | 6.651063 | -.23763060 |
| 4 | 4s | 5.145488 | -.04865747 |
| 5 | 5s | 13.792897 | -.01121840 |
| 6 | 4s | 1.447502 | .00879145 |
| 7 | 3s | 1.604362 | -.00965878 |
| 8 | 3s | 44.946243 | -.00010705 |
| 9 | 4s | 76.695510 | .00002343 |
| 10 | 5s | 1.140938 | .00129093 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649453 | < R2 > | .500099 | < 1/R > | 2.237338 | < 1/R**2 > | 20.538206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247530 | .91854862 |
| 2 | 1s | 16.893369 | .07965921 |
| 3 | 2s | 5.800147 | .02157978 |
| 4 | 3s | 7.248185 | -.02266358 |
| 5 | 4s | 9.503823 | .00978400 |
| 6 | 5s | 28.522335 | .00080443 |
| 7 | 3s | 41.236057 | -.00014685 |
| 8 | 5s | 1.032391 | -.00020472 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130348 | < R2 > | .022847 | < 1/R > | 11.611049 | < 1/R**2 > | 272.312517 |
Total Energy= -192.70732403 a.u.
Kinetic Energy= 192.71200915 a.u.
Potential Energy= -385.41933318 a.u.
Virial Ratio = -1.99997569