(1s 2 2s 2 2p 5 3s 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3130.
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 | 3s- electron | |
| 1 | 1s | 10.088485 | .09780658 |
| 2 | 2s | 3.799337 | -.36958206 |
| 3 | 3s | 1.624542 | 1.02845141 |
| 4 | 4s | 9.302395 | -.01588148 |
| 5 | 5s | 4.293566 | -.02908373 |
| 6 | 4s | 1.272864 | .08315639 |
| 7 | 5s | 1.227258 | -.01852054 |
| 8 | 5s | 27.621308 | .00024691 |
| ORB.ENERGY,a.u. | -.991470 | ||
| NORM | 1.000000 | < R > | 2.324358 | < R2 > | 6.151684 | < 1/R > | .574334 | < 1/R**2 > | 1.879274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.189506 | 1.38477929 |
| 2 | 3p | 3.785019 | -.50021934 |
| 3 | 2p | 8.261421 | .11495595 |
| 4 | 5p | 2.613905 | .00596480 |
| 5 | 4p | 9.510612 | .02436727 |
| 6 | 4p | 2.929305 | -.01748048 |
| 7 | 5p | 28.738048 | -.00025934 |
| 8 | 4p | 40.017077 | -.00003658 |
| ORB.ENERGY,a.u. | -3.470400 | ||
| NORM | 1.000000 | < R > | .643072 | < R2 > | .519100 | < 1/R > | 2.047829 | < 1/R**2 > | 5.935199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.930010 | .28867052 |
| 2 | 2s | 3.629224 | -.77260917 |
| 3 | 3s | 6.797010 | -.23571084 |
| 4 | 4s | 5.381796 | -.04105934 |
| 5 | 5s | 14.053579 | -.01023376 |
| 6 | 5s | 2.980557 | -.00619005 |
| 7 | 4s | 54.847647 | -.00003151 |
| 8 | 3s | 1.365395 | -.00332275 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .671135 | < R2 > | .537519 | < 1/R > | 2.167357 | < 1/R**2 > | 19.363941 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194936 | .90761243 |
| 2 | 1s | 16.620139 | .09093021 |
| 3 | 2s | 6.055319 | .01913038 |
| 4 | 3s | 7.640955 | -.02063788 |
| 5 | 4s | 9.778713 | .01033188 |
| 6 | 5s | 28.991721 | .00097416 |
| 7 | 4s | 65.585269 | -.00004330 |
| 8 | 5s | 2.421238 | .00016469 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130489 | < R2 > | .022909 | < 1/R > | 11.603447 | < 1/R**2 > | 272.040969 |
Total Energy= -196.92462833 a.u.
Kinetic Energy= 196.93054828 a.u.
Potential Energy= -393.85517661 a.u.
Virial Ratio = -1.99996994