(1s 2 2s 2 2p 5 3p 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 3.153368 | .31236241 |
| 2 | 3p | 1.358538 | -1.01740499 |
| 3 | 4p | 4.780775 | -.06426575 |
| 4 | 2p | 7.918428 | .03973043 |
| 5 | 5p | 12.535760 | .00269389 |
| 6 | 5p | 1.321059 | -.04161381 |
| 7 | 4p | 29.722774 | -.00007302 |
| ORB.ENERGY,a.u. | -.758990 | ||
| NORM | 1.000000 | < R > | 2.706252 | < R2 > | 8.367924 | < 1/R > | .477344 | < 1/R**2 > | .492914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.313512 | 1.35479215 |
| 2 | 3p | 3.964975 | -.45488317 |
| 3 | 2p | 8.596750 | .09574261 |
| 4 | 4p | 9.971317 | .02211530 |
| 5 | 3p | 14.806411 | .00016755 |
| 6 | 5p | 2.343314 | .02132137 |
| 7 | 4p | 2.048728 | -.02304199 |
| 8 | 5p | 31.580615 | -.00010901 |
| ORB.ENERGY,a.u. | -3.435800 | ||
| NORM | 1.000000 | < R > | .641172 | < R2 > | .515216 | < 1/R > | 2.051590 | < 1/R**2 > | 5.952698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.898500 | .33492009 |
| 2 | 2s | 4.630264 | -.82381632 |
| 3 | 3s | 3.828616 | -.30158992 |
| 4 | 4s | 15.970300 | .00532571 |
| 5 | 3s | 14.178828 | .00680910 |
| 6 | 5s | 33.580162 | .00019216 |
| 7 | 5s | 2.692498 | -.00159642 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .670373 | < R2 > | .535403 | < 1/R > | 2.167773 | < 1/R**2 > | 19.362258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192885 | .90716497 |
| 2 | 1s | 16.607737 | .09138243 |
| 3 | 2s | 6.091360 | .01905855 |
| 4 | 3s | 7.725785 | -.02092919 |
| 5 | 4s | 9.871307 | .01076310 |
| 6 | 5s | 28.529504 | .00100945 |
| 7 | 4s | 67.544584 | -.00004853 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130505 | < R2 > | .022915 | < 1/R > | 11.602629 | < 1/R**2 > | 272.012921 |
Total Energy= -196.70691697 a.u.
Kinetic Energy= 196.69937730 a.u.
Potential Energy= -393.40629427 a.u.
Virial Ratio = -2.00003833