(1s 2 2s 2 2p 3 3s 1 ) 5 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5030.
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 | 10.185279 | .14075499 |
| 2 | 2s | 3.596714 | -.61424028 |
| 3 | 3s | 2.144638 | 1.22380518 |
| 4 | 4s | 8.721610 | -.04246844 |
| 5 | 5s | 15.377932 | -.00361681 |
| 6 | 2s | 24.176619 | .00023954 |
| 7 | 4s | 29.986727 | .00004836 |
| 8 | 4s | 1.034278 | .00030645 |
| ORB.ENERGY,a.u. | -2.120800 | ||
| NORM | 1.000000 | < R > | 1.795198 | < R2 > | 3.667982 | < 1/R > | .787616 | < 1/R**2 > | 3.804726 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.299256 | 1.40167405 |
| 2 | 3p | 5.662481 | -.51014433 |
| 3 | 4p | 7.159368 | .09995517 |
| 4 | 4p | 18.578061 | -.00278727 |
| 5 | 5p | 3.475696 | .02075501 |
| 6 | 3p | 23.392162 | -.00053513 |
| 7 | 5p | 2.900706 | -.00938903 |
| 8 | 3p | 1.875454 | .00337894 |
| ORB.ENERGY,a.u. | -6.217300 | ||
| NORM | 1.000000 | < R > | .572478 | < R2 > | .402853 | < 1/R > | 2.246932 | < 1/R**2 > | 6.970715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.664872 | .36725130 |
| 2 | 2s | 4.875550 | -.85046679 |
| 3 | 3s | 4.301346 | -.28992482 |
| 4 | 4s | 20.219147 | .00236012 |
| 5 | 3s | 11.071010 | .02184878 |
| 6 | 5s | 3.077831 | -.01547957 |
| 7 | 4s | 1.906929 | -.00337046 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .636474 | < R2 > | .480966 | < 1/R > | 2.290336 | < 1/R**2 > | 21.483959 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.170792 | .90982218 |
| 2 | 1s | 16.969965 | .08930469 |
| 3 | 2s | 9.336729 | .01811900 |
| 4 | 3s | 13.276552 | -.01452492 |
| 5 | 4s | 20.878270 | .00290983 |
| 6 | 5s | 35.134561 | .00034658 |
| 7 | 5s | 2.853592 | .00068528 |
| 8 | 4s | 5.081372 | .00037323 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130149 | < R2 > | .022760 | < 1/R > | 11.621848 | < 1/R**2 > | 272.696726 |
Total Energy= -188.94686511 a.u.
Kinetic Energy= 188.97828396 a.u.
Potential Energy= -377.92514906 a.u.
Virial Ratio = -1.99983374