(1s 2 2s 2 2p 4 4p 1 ) 2 S Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
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 | 4p- electron | |
| 1 | 2p | 5.252580 | .15457754 |
| 2 | 3p | .870474 | 1.91869717 |
| 3 | 4p | 1.813942 | -1.23257177 |
| 4 | 5p | 3.403690 | -.15333523 |
| 5 | 3p | 8.196365 | -.01089510 |
| 6 | 5p | .846606 | -.35064744 |
| 7 | 4p | .546885 | .17074129 |
| 8 | 4p | 23.352321 | -.00022238 |
| 9 | 3p | .261905 | -.16591986 |
| 10 | 5p | .331967 | .10401698 |
| ORB.ENERGY,a.u. | -.625040 | ||
| NORM | 1.000000 | < R > | 4.585510 | < R2 > | 23.768493 | < 1/R > | .300901 | < 1/R**2 > | .264279 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.655838 | 1.28518706 |
| 2 | 3p | 4.343158 | -.35923780 |
| 3 | 2p | 9.267672 | .06879341 |
| 4 | 4p | 10.671166 | .01872316 |
| 5 | 5p | 25.919267 | .00015992 |
| 6 | 5p | 1.186644 | .00116196 |
| 7 | 4p | 44.414876 | .00004915 |
| 8 | 4p | 3.744709 | -.00343763 |
| ORB.ENERGY,a.u. | -4.799500 | ||
| NORM | 1.000000 | < R > | .603660 | < R2 > | .451466 | < 1/R > | 2.151705 | < 1/R**2 > | 6.463313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.828874 | .34946814 |
| 2 | 2s | 4.733486 | -.83221418 |
| 3 | 3s | 4.113392 | -.29402464 |
| 4 | 4s | 14.746445 | .00957991 |
| 5 | 3s | 16.027317 | .00533969 |
| 6 | 5s | 29.431518 | .00046430 |
| 7 | 5s | 4.002066 | -.00402359 |
| 8 | 4s | 1.016037 | .00012041 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649169 | < R2 > | .499313 | < 1/R > | 2.237695 | < 1/R**2 > | 20.541647 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247795 | .91829615 |
| 2 | 1s | 16.928366 | .07951297 |
| 3 | 2s | 6.351507 | .01951648 |
| 4 | 3s | 7.894233 | -.02017340 |
| 5 | 4s | 10.043593 | .00980910 |
| 6 | 5s | 28.294339 | .00096582 |
| 7 | 4s | 64.322279 | -.00005670 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130358 | < R2 > | .022850 | < 1/R > | 11.610517 | < 1/R**2 > | 272.294029 |
Total Energy= -192.61472624 a.u.
Kinetic Energy= 192.60787927 a.u.
Potential Energy= -385.22260552 a.u.
Virial Ratio = -2.00003555