(1s 2 2s 2 2p 1 3d 1 ) 1 F Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 2.380084 | .95236104 |
| 2 | 3d | 6.341336 | .01534940 |
| 3 | 4d | 2.117646 | .05714418 |
| 4 | 5d | 17.581987 | -.00018750 |
| 5 | 5d | 2.089146 | -.01331085 |
| ORB.ENERGY,a.u. | -2.731900 | ||
| NORM | 1.000000 | < R > | 1.482402 | < R2 > | 2.519862 | < 1/R > | .791599 | < 1/R**2 > | .759690 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.688316 | 1.11606525 |
| 2 | 3p | 5.800252 | -.12914399 |
| 3 | 2p | 12.274467 | .01429294 |
| 4 | 5p | 14.296555 | .00281426 |
| 5 | 4p | 2.254993 | -.00663160 |
| 6 | 5p | 32.914396 | -.00012061 |
| 7 | 4p | 2.096018 | .00458532 |
| 8 | 3p | 97.030386 | .00000149 |
| ORB.ENERGY,a.u. | -8.839700 | ||
| NORM | 1.000000 | < R > | .518242 | < R2 > | .325348 | < 1/R > | 2.443581 | < 1/R**2 > | 8.106758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.543609 | .34522309 |
| 2 | 2s | 4.256146 | -.79698399 |
| 3 | 3s | 6.437418 | -.27602483 |
| 4 | 4s | 22.808559 | .00144718 |
| 5 | 5s | 12.604525 | -.01439994 |
| 6 | 5s | 4.895114 | .01734073 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .594349 | < R2 > | .414346 | < 1/R > | 2.453303 | < 1/R**2 > | 24.391240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194831 | .92230680 |
| 2 | 1s | 17.364565 | .07955731 |
| 3 | 2s | 9.733242 | .01716360 |
| 4 | 3s | 12.394942 | -.01612462 |
| 5 | 4s | 58.671910 | -.00007606 |
| 6 | 5s | 27.988254 | .00091872 |
| 7 | 4s | 5.325536 | .00006039 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129624 | < R2 > | .022534 | < 1/R > | 11.651646 | < 1/R**2 > | 273.779916 |
Total Energy= -174.55689861 a.u.
Kinetic Energy= 174.46453774 a.u.
Potential Energy= -349.02143635 a.u.
Virial Ratio = -2.00052940