(1s 2 2s 2 2p 5 3d 1 ) 3 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 1.011708 | .96418984 |
| 2 | 3d | 2.004854 | .18000874 |
| 3 | 4d | 2.382998 | -.11331223 |
| 4 | 5d | 4.129728 | -.01476513 |
| 5 | 4d | 8.078036 | .00206196 |
| 6 | 3d | 11.008681 | .00039865 |
| ORB.ENERGY,a.u. | -.507540 | ||
| NORM | 1.000000 | < R > | 3.377459 | < R2 > | 13.154037 | < 1/R > | .351325 | < 1/R**2 > | .153272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.360641 | 1.32818995 |
| 2 | 3p | 4.030637 | -.42718868 |
| 3 | 2p | 8.631169 | .09318524 |
| 4 | 3p | 16.406958 | .00008382 |
| 5 | 5p | 2.489606 | .00275205 |
| 6 | 4p | 10.000187 | .02152499 |
| 7 | 5p | 31.594251 | -.00010369 |
| ORB.ENERGY,a.u. | -3.514700 | ||
| NORM | 1.000000 | < R > | .640495 | < R2 > | .514139 | < 1/R > | 2.053600 | < 1/R**2 > | 5.963428 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891880 | .33573443 |
| 2 | 2s | 4.636834 | -.82447520 |
| 3 | 3s | 3.832959 | -.30185417 |
| 4 | 4s | 15.848694 | .00565354 |
| 5 | 3s | 14.288503 | .00661984 |
| 6 | 5s | 33.577210 | .00021242 |
| 7 | 5s | 2.457964 | -.00074791 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669391 | < R2 > | .533660 | < 1/R > | 2.170848 | < 1/R**2 > | 19.413390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716220 |
| 2 | 1s | 16.607906 | .09137948 |
| 3 | 2s | 6.096045 | .01901159 |
| 4 | 3s | 7.738794 | -.02089346 |
| 5 | 4s | 9.892652 | .01071596 |
| 6 | 5s | 28.789776 | .00103428 |
| 7 | 4s | 67.691344 | -.00004066 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603337 | < 1/R**2 > | 272.038720 |
Total Energy= -196.45651592 a.u.
Kinetic Energy= 196.44802155 a.u.
Potential Energy= -392.90453747 a.u.
Virial Ratio = -2.00004324