(1s 2 2s 2 5s 1 ) 2 S Mg 7+
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 | 9.575999 | .08572236 |
| 2 | 2s | 2.060666 | -1.76426906 |
| 3 | 3s | 1.924593 | 7.12849654 |
| 4 | 4s | 1.926485 | -8.43620795 |
| 5 | 5s | 1.640514 | 3.53890043 |
| 6 | 4s | 9.936435 | -.02717862 |
| 7 | 5s | 7.600919 | -.03719463 |
| 8 | 5s | 1.202974 | -.01764332 |
| 9 | 4s | 34.017146 | -.00009483 |
| ORB.ENERGY,a.u. | -1.410400 | ||
| NORM | .999998 | < R > | 4.265834 | < R2 > | 20.363158 | < 1/R > | .340872 | < 1/R**2 > | 1.144093 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.175690 | .37717652 |
| 2 | 2s | 4.733812 | -.79117554 |
| 3 | 3s | 6.031672 | -.28550858 |
| 4 | 5s | 11.464832 | -.02135850 |
| 5 | 4s | 23.426152 | .00361238 |
| 6 | 5s | 33.679051 | -.00066055 |
| 7 | 4s | 1.769237 | .00083854 |
| 8 | 4s | 1.535191 | -.00074156 |
| ORB.ENERGY,a.u. | -11.588000 | ||
| NORM | 1.000000 | < R > | .574912 | < R2 > | .386296 | < 1/R > | 2.540907 | < 1/R**2 > | 26.028790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.266522 | .93318751 |
| 2 | 1s | 18.176725 | .06547250 |
| 3 | 2s | 11.593157 | .02009254 |
| 4 | 3s | 13.341713 | -.01648344 |
| 5 | 5s | 26.665549 | .00111635 |
| 6 | 4s | 58.547538 | -.00009032 |
| ORB.ENERGY,a.u. | -60.068000 |
| NORM | 1.000000 | < R > | .129278 | < R2 > | .022388 | < 1/R > | 11.671616 | < 1/R**2 > | 274.507094 |
Total Energy= -163.37514116 a.u.
Kinetic Energy= 163.37515584 a.u.
Potential Energy= -326.75029700 a.u.
Virial Ratio = -1.99999991