(1s 2 2s 2 2p 1 4d 1 ) 1 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1142.
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 | 1.952674 | 1.45821540 |
| 2 | 4d | 1.728240 | -1.98655970 |
| 3 | 3d | 4.750786 | .01588923 |
| 4 | 5d | 1.648470 | .03591829 |
| 5 | 4d | 14.049756 | .00159668 |
| 6 | 5d | 10.533746 | .00467171 |
| 7 | 3d | 18.735387 | .00021502 |
| ORB.ENERGY,a.u. | -1.542200 | ||
| NORM | .999999 | < R > | 2.962850 | < R2 > | 10.064044 | < 1/R > | .448434 | < 1/R**2 > | .330373 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.686652 | 1.09454878 |
| 2 | 3p | 5.988648 | -.12210208 |
| 3 | 2p | 10.154527 | .02526575 |
| 4 | 5p | 10.710575 | .00698718 |
| 5 | 4p | 20.461012 | -.00203539 |
| 6 | 5p | 4.348092 | .00481232 |
| 7 | 3p | 25.696873 | -.00034582 |
| 8 | 4p | 1.493867 | .00013490 |
| ORB.ENERGY,a.u. | -9.266200 | ||
| NORM | 1.000000 | < R > | .521542 | < R2 > | .330230 | < 1/R > | 2.432432 | < 1/R**2 > | 8.044427 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.532163 | .34663083 |
| 2 | 2s | 4.271376 | -.79787414 |
| 3 | 3s | 6.419955 | -.27686703 |
| 4 | 4s | 22.706408 | .00150238 |
| 5 | 5s | 12.607921 | -.01431465 |
| 6 | 5s | 4.780052 | .01968882 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592697 | < R2 > | .411708 | < 1/R > | 2.459524 | < 1/R**2 > | 24.502659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194956 | .92231960 |
| 2 | 1s | 17.346919 | .07967024 |
| 3 | 2s | 9.598051 | .01719535 |
| 4 | 3s | 12.289217 | -.01628084 |
| 5 | 4s | 59.099130 | -.00007934 |
| 6 | 5s | 27.744927 | .00090655 |
| 7 | 4s | 3.348283 | .00002424 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129621 | < R2 > | .022533 | < 1/R > | 11.651816 | < 1/R**2 > | 273.785864 |
Total Energy= -173.31299289 a.u.
Kinetic Energy= 173.27483403 a.u.
Potential Energy= -346.58782692 a.u.
Virial Ratio = -2.00022022