(1s 2 2s 2 2p 3 ) 2 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 4.038087 | 1.26473345 |
| 2 | 3p | 4.948677 | -.30209402 |
| 3 | 2p | 10.741853 | .03239029 |
| 4 | 4p | 12.984123 | .01209784 |
| 5 | 5p | 18.662405 | -.00211291 |
| 6 | 5p | 3.479559 | .00248725 |
| 7 | 4p | 51.374882 | .00004264 |
| ORB.ENERGY,a.u. | -6.412800 | ||
| NORM | 1.000000 | < R > | .576678 | < R2 > | .409265 | < 1/R > | 2.235672 | < 1/R**2 > | 6.921272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.782981 | .36398014 |
| 2 | 2s | 4.843613 | -.82925685 |
| 3 | 3s | 4.665206 | -.27446580 |
| 4 | 4s | 19.334143 | .00252957 |
| 5 | 3s | 11.873713 | .01546270 |
| 6 | 5s | 4.831249 | -.03403159 |
| 7 | 5s | 3.403412 | -.00076091 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .628288 | < R2 > | .465578 | < 1/R > | 2.313489 | < 1/R**2 > | 21.860503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.147328 | .91321118 |
| 2 | 1s | 17.255616 | .08684252 |
| 3 | 2s | 10.221835 | .01902315 |
| 4 | 3s | 13.511297 | -.01535236 |
| 5 | 5s | 28.673911 | .00129652 |
| 6 | 4s | 74.379613 | -.00003303 |
| 7 | 5s | 8.867497 | .00106438 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .130149 | < R2 > | .022759 | < 1/R > | 11.622020 | < 1/R**2 > | 272.707083 |
Total Energy= -186.85691984 a.u.
Kinetic Energy= 186.41147086 a.u.
Potential Energy= -373.26839070 a.u.
Virial Ratio = -2.00238960