(1s 2 5s 1 ) 2 S Mg 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 4.790652 | .21876524 |
| 2 | 2s | 2.109192 | -4.13810712 |
| 3 | 3s | 2.117111 | 13.46257963 |
| 4 | 4s | 2.174454 | -14.65829194 |
| 5 | 5s | 2.003306 | 5.58919461 |
| 6 | 5s | 11.657023 | -.00347357 |
| 7 | 1s | 13.384487 | .01642009 |
| 8 | 4s | 49.443313 | -.00002824 |
| 9 | 5s | 1.131179 | -.00148033 |
| ORB.ENERGY,a.u. | -2.059100 | ||
| NORM | .999996 | < R > | 3.647202 | < R2 > | 14.898067 | < 1/R > | .407206 | < 1/R**2 > | 1.661763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.446997 | .93656462 |
| 2 | 1s | 18.874987 | .05056650 |
| 3 | 2s | 14.927367 | .01695251 |
| 4 | 3s | 12.081149 | .00264926 |
| 5 | 4s | 36.454498 | -.00108714 |
| 6 | 5s | 43.584910 | .00039165 |
| 7 | 3s | 58.265067 | -.00006735 |
| ORB.ENERGY,a.u. | -64.305000 |
| NORM | 1.000000 | < R > | .129051 | < R2 > | .022297 | < 1/R > | 11.686944 | < 1/R**2 > | 275.120539 |
Total Energy= -138.66799208 a.u.
Kinetic Energy= 138.66800261 a.u.
Potential Energy= -277.33599469 a.u.
Virial Ratio = -1.99999992