(1s 2 2s 2 2p 2 5d 1 ) 2 D Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.433699 | 1.97280847 |
| 2 | 4d | 1.272038 | -5.14657456 |
| 3 | 5d | 1.189904 | 3.88630384 |
| 4 | 3d | 5.886837 | .01172615 |
| 5 | 5d | 2.874926 | -.01866280 |
| 6 | 4d | 14.157848 | -.00013788 |
| 7 | 4d | .700445 | -.00418655 |
| ORB.ENERGY,a.u. | -.724140 | ||
| NORM | .999997 | < R > | 5.700302 | < R2 > | 36.930954 | < 1/R > | .245418 | < 1/R**2 > | .125321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.339601 | 1.21427229 |
| 2 | 3p | 5.242655 | -.23561455 |
| 3 | 2p | 11.609257 | .02061498 |
| 4 | 4p | 12.624008 | .00474466 |
| 5 | 5p | 25.744026 | -.00034369 |
| 6 | 5p | 3.069315 | .01284578 |
| 7 | 4p | 2.716040 | -.01437169 |
| ORB.ENERGY,a.u. | -7.979600 | ||
| NORM | 1.000000 | < R > | .544463 | < R2 > | .361600 | < 1/R > | 2.343448 | < 1/R**2 > | 7.517440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.779806 | .37555254 |
| 2 | 2s | 4.906205 | -.82947678 |
| 3 | 3s | 5.090493 | -.27013534 |
| 4 | 4s | 19.196759 | .00270596 |
| 5 | 3s | 11.968332 | .01565244 |
| 6 | 5s | 5.042795 | -.03951479 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610159 | < R2 > | .437581 | < 1/R > | 2.385062 | < 1/R**2 > | 23.139734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173634 |
| 2 | 1s | 17.176059 | .08817094 |
| 3 | 2s | 10.299322 | .01904970 |
| 4 | 3s | 13.083185 | -.01555871 |
| 5 | 5s | 28.476836 | .00121226 |
| 6 | 4s | 69.240844 | -.00004020 |
| 7 | 5s | 8.934925 | .00063582 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129917 | < R2 > | .022659 | < 1/R > | 11.634969 | < 1/R**2 > | 273.174328 |
Total Energy= -180.74203263 a.u.
Kinetic Energy= 180.72386042 a.u.
Potential Energy= -361.46589306 a.u.
Virial Ratio = -2.00010055