(1s 2 2s 2 2p 4 3d 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 1.366251 | 1.05611712 |
| 2 | 3d | 4.481393 | .02310396 |
| 3 | 4d | 1.840620 | -.06928994 |
| 4 | 5d | 6.812918 | -.00189757 |
| 5 | 5d | 1.281717 | .00787235 |
| 6 | 4d | 25.663614 | .00002670 |
| ORB.ENERGY,a.u. | -.896460 | ||
| NORM | 1.000000 | < R > | 2.562031 | < R2 > | 7.551445 | < 1/R > | .460941 | < 1/R**2 > | .261013 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.667565 | 1.26709048 |
| 2 | 3p | 4.349493 | -.34604698 |
| 3 | 2p | 9.086628 | .07310997 |
| 4 | 4p | 10.432442 | .01730471 |
| 5 | 5p | 28.029726 | -.00014297 |
| 6 | 5p | 2.870535 | .00111063 |
| ORB.ENERGY,a.u. | -4.542800 | ||
| NORM | 1.000000 | < R > | .603744 | < R2 > | .451721 | < 1/R > | 2.151902 | < 1/R**2 > | 6.465283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.819419 | .34997775 |
| 2 | 2s | 4.739018 | -.83365855 |
| 3 | 3s | 4.092233 | -.29537758 |
| 4 | 4s | 14.696575 | .01055498 |
| 5 | 3s | 16.668453 | .00481493 |
| 6 | 5s | 28.732614 | .00054406 |
| 7 | 5s | 3.458113 | -.00251306 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649338 | < R2 > | .499727 | < 1/R > | 2.237566 | < 1/R**2 > | 20.541479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829299 |
| 2 | 1s | 16.927963 | .07951276 |
| 3 | 2s | 6.354700 | .01948516 |
| 4 | 3s | 7.907874 | -.02013716 |
| 5 | 4s | 10.065395 | .00976745 |
| 6 | 5s | 28.441565 | .00098465 |
| 7 | 4s | 64.393511 | -.00005147 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.611001 | < 1/R**2 > | 272.311818 |
Total Energy= -192.90760398 a.u.
Kinetic Energy= 192.87943980 a.u.
Potential Energy= -385.78704378 a.u.
Virial Ratio = -2.00014602