(1s 2 2s 2 2p 5 5d 1 ) 1 D Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | .737276 | 1.72106448 |
| 2 | 4d | .640052 | -4.83522681 |
| 3 | 5d | .599917 | 3.79234547 |
| 4 | 3d | 1.967353 | .04950483 |
| 5 | 5d | 2.941865 | -.01570756 |
| 6 | 4d | 5.904946 | .00522588 |
| 7 | 5d | 10.748724 | .00017338 |
| 8 | 3d | 8.098338 | .00118073 |
| ORB.ENERGY,a.u. | -.182940 | ||
| NORM | 1.000010 | < R > | 11.258340 | < R2 > | 144.253413 | < 1/R > | .125736 | < 1/R**2 > | .034394 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.340777 | 1.34606605 |
| 2 | 3p | 4.007543 | -.44369279 |
| 3 | 2p | 8.630049 | .09344541 |
| 4 | 4p | 10.013016 | .02154274 |
| 5 | 3p | 17.671277 | .00008305 |
| 6 | 5p | 2.324482 | .01529508 |
| 7 | 4p | 2.032765 | -.01640179 |
| 8 | 5p | 32.005219 | -.00010148 |
| ORB.ENERGY,a.u. | -3.804700 | ||
| NORM | 1.000000 | < R > | .640027 | < R2 > | .513089 | < 1/R > | 2.054332 | < 1/R**2 > | 5.966393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891714 | .33582327 |
| 2 | 2s | 4.636190 | -.82507056 |
| 3 | 3s | 3.826550 | -.30272716 |
| 4 | 4s | 15.730178 | .00602316 |
| 5 | 3s | 14.521790 | .00629029 |
| 6 | 5s | 33.314076 | .00022124 |
| 7 | 5s | 2.732136 | -.00107782 |
| 8 | 4s | 3.045994 | .00228763 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669123 | < R2 > | .533108 | < 1/R > | 2.171447 | < 1/R**2 > | 19.422221 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716033 |
| 2 | 1s | 16.607500 | .09138153 |
| 3 | 2s | 6.095129 | .01901649 |
| 4 | 3s | 7.737612 | -.02089663 |
| 5 | 4s | 9.891375 | .01071856 |
| 6 | 5s | 28.759853 | .00103289 |
| 7 | 4s | 67.724432 | -.00004161 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603291 | < 1/R**2 > | 272.037055 |
Total Energy= -196.12537151 a.u.
Kinetic Energy= 196.12339589 a.u.
Potential Energy= -392.24876741 a.u.
Virial Ratio = -2.00001007