(1s 2 2s 2 2p 1 4d 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 2.055845 | 1.25402823 |
| 2 | 4d | 1.749226 | -1.77619940 |
| 3 | 3d | 4.350423 | .03938667 |
| 4 | 5d | 38.819839 | .00001675 |
| 5 | 4d | 8.483469 | .00715348 |
| 6 | 5d | 20.045003 | .00028871 |
| 7 | 3d | 17.099202 | .00029359 |
| 8 | 5d | 1.474169 | .00695052 |
| ORB.ENERGY,a.u. | -1.572000 | ||
| NORM | 1.000000 | < R > | 2.899874 | < R2 > | 9.644105 | < 1/R > | .459850 | < 1/R**2 > | .351565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.663187 | 1.08724463 |
| 2 | 3p | 5.864913 | -.11217228 |
| 3 | 2p | 10.829869 | .02345936 |
| 4 | 5p | 12.741474 | .00553572 |
| 5 | 4p | 25.132768 | -.00060707 |
| 6 | 5p | 4.411026 | .00610517 |
| 7 | 5p | 79.073519 | -.00001211 |
| 8 | 4p | 2.893698 | -.00164245 |
| ORB.ENERGY,a.u. | -9.296100 | ||
| NORM | 1.000000 | < R > | .522906 | < R2 > | .331980 | < 1/R > | 2.426804 | < 1/R**2 > | 8.010910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.533112 | .34655675 |
| 2 | 2s | 4.269590 | -.79813068 |
| 3 | 3s | 6.420178 | -.27681763 |
| 4 | 4s | 22.650844 | .00149539 |
| 5 | 5s | 12.641075 | -.01430513 |
| 6 | 5s | 4.785302 | .02000987 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592731 | < R2 > | .411756 | < 1/R > | 2.459354 | < 1/R**2 > | 24.499125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197377 | .92307621 |
| 2 | 1s | 17.425934 | .07858896 |
| 3 | 2s | 10.086839 | .01686318 |
| 4 | 3s | 12.728950 | -.01582823 |
| 5 | 4s | 63.666390 | -.00005798 |
| 6 | 5s | 27.814905 | .00113584 |
| 7 | 5s | 7.603010 | .00012911 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129619 | < R2 > | .022532 | < 1/R > | 11.651920 | < 1/R**2 > | 273.789755 |
Total Energy= -173.31452853 a.u.
Kinetic Energy= 173.30472554 a.u.
Potential Energy= -346.61925407 a.u.
Virial Ratio = -2.00005657