(1s 2 2s 2 2p 1 4d 1 ) 1 D Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 2.123754 | 1.15363584 |
| 2 | 4d | 1.766819 | -1.69238524 |
| 3 | 3d | 4.093969 | .05359979 |
| 4 | 5d | 34.512075 | .00002468 |
| 5 | 4d | 8.376237 | .00765278 |
| 6 | 5d | 18.463066 | .00034976 |
| 7 | 3d | 16.168990 | .00038590 |
| 8 | 5d | 1.479789 | .00628541 |
| ORB.ENERGY,a.u. | -1.599100 | ||
| NORM | 1.000000 | < R > | 2.853109 | < R2 > | 9.328640 | < 1/R > | .466784 | < 1/R**2 > | .362730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.620818 | 1.10036481 |
| 2 | 3p | 5.586373 | -.12559685 |
| 3 | 2p | 11.090309 | .02324104 |
| 4 | 5p | 13.685256 | .00450417 |
| 5 | 4p | 26.156572 | -.00032903 |
| 6 | 5p | 2.597149 | -.00104074 |
| 7 | 4p | 4.033021 | .00490567 |
| 8 | 5p | 84.335640 | -.00000496 |
| ORB.ENERGY,a.u. | -9.323100 | ||
| NORM | 1.000000 | < R > | .523481 | < R2 > | .332707 | < 1/R > | 2.424267 | < 1/R**2 > | 7.995094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.532400 | .34657885 |
| 2 | 2s | 4.270928 | -.79787635 |
| 3 | 3s | 6.418704 | -.27685513 |
| 4 | 4s | 22.673720 | .00149353 |
| 5 | 5s | 12.637251 | -.01431407 |
| 6 | 5s | 4.776004 | .01970847 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592745 | < R2 > | .411775 | < 1/R > | 2.459274 | < 1/R**2 > | 24.497419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.195138 | .92229893 |
| 2 | 1s | 17.344234 | .07969463 |
| 3 | 2s | 9.589320 | .01719210 |
| 4 | 3s | 12.279221 | -.01628596 |
| 5 | 4s | 59.095720 | -.00007924 |
| 6 | 5s | 27.755964 | .00090620 |
| 7 | 4s | 3.358341 | .00002436 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129619 | < R2 > | .022532 | < 1/R > | 11.651970 | < 1/R**2 > | 273.791647 |
Total Energy= -173.31433824 a.u.
Kinetic Energy= 173.33175433 a.u.
Potential Energy= -346.64609257 a.u.
Virial Ratio = -1.99989952