(1s 2 2s 2 2p 5 3d 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 1.107779 | .89268783 |
| 2 | 3d | 2.931343 | .08924317 |
| 3 | 4d | 3.649140 | -.03925745 |
| 4 | 5d | 13.841055 | .00024677 |
| 5 | 5d | 1.131762 | .10290564 |
| 6 | 4d | 25.195027 | .00004167 |
| ORB.ENERGY,a.u. | -.523430 | ||
| NORM | 1.000000 | < R > | 3.241921 | < R2 > | 12.178429 | < 1/R > | .368599 | < 1/R**2 > | .170416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.268504 | 1.34806191 |
| 2 | 3p | 3.890467 | -.45806298 |
| 3 | 2p | 8.452159 | .10515247 |
| 4 | 4p | 2.229518 | -.02709861 |
| 5 | 5p | 2.454250 | .02259575 |
| 6 | 4p | 9.673277 | .02551990 |
| 7 | 4p | 17.358701 | .00057254 |
| 8 | 5p | 28.200207 | -.00023737 |
| ORB.ENERGY,a.u. | -3.530600 | ||
| NORM | 1.000000 | < R > | .641030 | < R2 > | .515169 | < 1/R > | 2.052463 | < 1/R**2 > | 5.958150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.890901 | .33578269 |
| 2 | 2s | 4.637654 | -.82458854 |
| 3 | 3s | 3.831724 | -.30187893 |
| 4 | 4s | 15.783381 | .00569509 |
| 5 | 3s | 14.315011 | .00664520 |
| 6 | 5s | 33.226473 | .00021935 |
| 7 | 5s | 2.502651 | -.00083640 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669434 | < R2 > | .533763 | < 1/R > | 2.170803 | < 1/R**2 > | 19.413065 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193569 | .90715851 |
| 2 | 1s | 16.607108 | .09138238 |
| 3 | 2s | 6.096392 | .01900847 |
| 4 | 3s | 7.739314 | -.02089201 |
| 5 | 4s | 9.893687 | .01071307 |
| 6 | 5s | 28.784612 | .00103613 |
| 7 | 4s | 67.725154 | -.00004104 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130491 | < R2 > | .022910 | < 1/R > | 11.603417 | < 1/R**2 > | 272.041645 |
Total Energy= -196.45613014 a.u.
Kinetic Energy= 196.46391912 a.u.
Potential Energy= -392.92004926 a.u.
Virial Ratio = -1.99996035