(1s 2 2s 2 4s 1 ) 2 S Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 9.491736 | .12368780 |
| 2 | 2s | 2.569820 | -1.48271613 |
| 3 | 3s | 2.328011 | 3.83613667 |
| 4 | 4s | 2.148501 | -3.13695891 |
| 5 | 5s | 4.498386 | .10755424 |
| 6 | 4s | 8.945662 | -.02862669 |
| 7 | 5s | 26.506695 | .00044379 |
| 8 | 4s | 93.467853 | -.00000394 |
| 9 | 5s | 1.584395 | -.00270464 |
| ORB.ENERGY,a.u. | -2.263000 | ||
| NORM | 1.000000 | < R > | 2.664622 | < R2 > | 7.973385 | < 1/R > | .541700 | < 1/R**2 > | 2.317756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.180174 | .37677693 |
| 2 | 2s | 4.715188 | -.79655753 |
| 3 | 3s | 6.046244 | -.28375835 |
| 4 | 5s | 11.415780 | -.02091482 |
| 5 | 4s | 23.266353 | .00378328 |
| 6 | 5s | 33.299917 | -.00069800 |
| 7 | 4s | 6.011159 | .00397114 |
| 8 | 4s | 1.920409 | .00047941 |
| ORB.ENERGY,a.u. | -11.421000 | ||
| NORM | 1.000000 | < R > | .575186 | < R2 > | .386707 | < 1/R > | 2.539818 | < 1/R**2 > | 26.009605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.266113 | .93323147 |
| 2 | 1s | 18.186980 | .06540369 |
| 3 | 2s | 11.622527 | .02009337 |
| 4 | 3s | 13.378271 | -.01645953 |
| 5 | 5s | 26.738608 | .00113504 |
| 6 | 4s | 58.979599 | -.00008749 |
| ORB.ENERGY,a.u. | -59.882000 |
| NORM | 1.000000 | < R > | .129284 | < R2 > | .022391 | < 1/R > | 11.671247 | < 1/R**2 > | 274.492589 |
Total Energy= -164.22644840 a.u.
Kinetic Energy= 164.22644543 a.u.
Potential Energy= -328.45289383 a.u.
Virial Ratio = -2.00000002