(1s 2 2s 2 2p 1 3d 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 2.404532 | 1.07176125 |
| 2 | 3d | 5.430641 | .03698607 |
| 3 | 4d | 2.838256 | -.09474496 |
| 4 | 5d | 16.612245 | -.00037571 |
| ORB.ENERGY,a.u. | -2.807400 | ||
| NORM | 1.000000 | < R > | 1.417851 | < R2 > | 2.318889 | < 1/R > | .833941 | < 1/R**2 > | .850873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.658914 | 1.08034342 |
| 2 | 3p | 5.735757 | -.10928854 |
| 3 | 2p | 11.023509 | .02314979 |
| 4 | 5p | 13.320471 | .00495276 |
| 5 | 4p | 26.067593 | -.00039375 |
| 6 | 5p | 4.626837 | .01409432 |
| 7 | 5p | 84.397738 | -.00000633 |
| 8 | 4p | 4.400947 | -.00063335 |
| ORB.ENERGY,a.u. | -8.915200 | ||
| NORM | 1.000000 | < R > | .525237 | < R2 > | .335631 | < 1/R > | 2.419938 | < 1/R**2 > | 7.975223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.547266 | .34488523 |
| 2 | 2s | 4.251840 | -.79668188 |
| 3 | 3s | 6.446054 | -.27577439 |
| 4 | 4s | 22.825925 | .00142819 |
| 5 | 5s | 12.615528 | -.01448687 |
| 6 | 5s | 4.876067 | .01685876 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .594633 | < R2 > | .414796 | < 1/R > | 2.452188 | < 1/R**2 > | 24.370286 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197757 | .92309426 |
| 2 | 1s | 17.420843 | .07859662 |
| 3 | 2s | 10.052942 | .01684884 |
| 4 | 3s | 12.704294 | -.01583709 |
| 5 | 4s | 63.543512 | -.00005842 |
| 6 | 5s | 27.801037 | .00113190 |
| 7 | 5s | 7.422219 | .00012878 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129617 | < R2 > | .022531 | < 1/R > | 11.652057 | < 1/R**2 > | 273.795216 |
Total Energy= -174.56706886 a.u.
Kinetic Energy= 174.54018212 a.u.
Potential Energy= -349.10725098 a.u.
Virial Ratio = -2.00015404