(1s 2 3s 1 ) 2 S Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 8.698158 | .26360463 |
| 2 | 2s | 3.912933 | -1.28262874 |
| 3 | 3s | 3.340795 | 1.93182579 |
| 4 | 4s | 5.959398 | -.21724027 |
| 5 | 5s | 10.449624 | -.03351307 |
| 6 | 5s | 2.515718 | -.00743837 |
| 7 | 4s | 21.909486 | .00264783 |
| 8 | 5s | 55.266054 | .00012257 |
| 9 | 4s | 1.712510 | .00451057 |
| 10 | 3s | 60.166223 | .00004929 |
| 11 | 3s | 1.235232 | -.00174800 |
| ORB.ENERGY,a.u. | -5.836800 | ||
| NORM | 1.000000 | < R > | 1.288612 | < R2 > | 1.885706 | < 1/R > | 1.145416 | < 1/R**2 > | 7.908992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.445945 | .93637286 |
| 2 | 1s | 18.781211 | .05100501 |
| 3 | 2s | 14.763240 | .01666296 |
| 4 | 3s | 12.291412 | .00338178 |
| 5 | 4s | 19.454095 | -.00133121 |
| 6 | 5s | 24.632582 | .00060075 |
| 7 | 3s | 31.122563 | -.00067256 |
| 8 | 5s | 3.641002 | -.00007771 |
| ORB.ENERGY,a.u. | -63.624000 |
| NORM | 1.000000 | < R > | .129084 | < R2 > | .022311 | < 1/R > | 11.684778 | < 1/R**2 > | 275.035538 |
Total Energy= -142.43875631 a.u.
Kinetic Energy= 142.43875955 a.u.
Potential Energy= -284.87751586 a.u.
Virial Ratio = -1.99999998