(1s 2 2s 2 2p 5 4d 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | .902761 | 1.19123420 |
| 2 | 4d | .758798 | -1.71438058 |
| 3 | 3d | 3.592252 | .03582651 |
| 4 | 4d | 2.240980 | .04142857 |
| 5 | 5d | 5.955020 | -.00385755 |
| 6 | 4d | 21.505508 | .00003990 |
| ORB.ENERGY,a.u. | -.292880 | ||
| NORM | 1.000001 | < R > | 6.635686 | < R2 > | 50.702908 | < 1/R > | .204579 | < 1/R**2 > | .072872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.356940 | 1.33867184 |
| 2 | 3p | 4.032708 | -.43564227 |
| 3 | 2p | 8.656297 | .09185517 |
| 4 | 3p | 16.373453 | .00010180 |
| 5 | 5p | 2.248795 | .00886335 |
| 6 | 4p | 10.027793 | .02130204 |
| 7 | 4p | 1.874262 | -.00787576 |
| 8 | 5p | 31.678808 | -.00010308 |
| ORB.ENERGY,a.u. | -3.721100 | ||
| NORM | 1.000000 | < R > | .640382 | < R2 > | .513796 | < 1/R > | 2.053627 | < 1/R**2 > | 5.963212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.890897 | .33583408 |
| 2 | 2s | 4.636594 | -.82517038 |
| 3 | 3s | 3.825075 | -.30269323 |
| 4 | 4s | 15.697063 | .00600699 |
| 5 | 3s | 14.502780 | .00635228 |
| 6 | 5s | 33.097510 | .00022753 |
| 7 | 5s | 2.775013 | -.00119944 |
| 8 | 4s | 3.070042 | .00223759 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669231 | < R2 > | .533331 | < 1/R > | 2.171211 | < 1/R**2 > | 19.418792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716244 |
| 2 | 1s | 16.607906 | .09137951 |
| 3 | 2s | 6.096119 | .01901084 |
| 4 | 3s | 7.738808 | -.02089342 |
| 5 | 4s | 9.892402 | .01071623 |
| 6 | 5s | 28.790562 | .00103432 |
| 7 | 4s | 67.692540 | -.00004065 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130492 | < R2 > | .022910 | < 1/R > | 11.603340 | < 1/R**2 > | 272.038855 |
Total Energy= -196.23018846 a.u.
Kinetic Energy= 196.23338732 a.u.
Potential Energy= -392.46357578 a.u.
Virial Ratio = -1.99998370