(1s 2 2s 2 2p 4 5s 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 10.448032 | .03973265 |
| 2 | 2s | 3.189709 | -.20437059 |
| 3 | 3s | 1.514612 | 1.14973986 |
| 4 | 4s | 1.103115 | -2.79859286 |
| 5 | 5s | .931649 | 2.44046579 |
| 6 | 5s | 10.616875 | -.01079294 |
| 7 | 4s | 13.908764 | -.00489247 |
| 8 | 5s | 46.431075 | -.00006942 |
| ORB.ENERGY,a.u. | -.423720 | ||
| NORM | 1.000004 | < R > | 7.107193 | < R2 > | 56.549049 | < 1/R > | .196046 | < 1/R**2 > | .345714 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.698088 | 1.26908760 |
| 2 | 3p | 4.419878 | -.34131853 |
| 3 | 5p | 62.765659 | .00001636 |
| 4 | 5p | 2.885104 | .00117912 |
| 5 | 2p | 9.281420 | .06648048 |
| 6 | 4p | 10.653664 | .01705544 |
| ORB.ENERGY,a.u. | -4.915000 | ||
| NORM | 1.000000 | < R > | .603719 | < R2 > | .451525 | < 1/R > | 2.151518 | < 1/R**2 > | 6.462377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.758427 | .30560727 |
| 2 | 2s | 3.920193 | -.75905460 |
| 3 | 3s | 6.536588 | -.23847762 |
| 4 | 4s | 4.763131 | -.06098778 |
| 5 | 5s | 13.790537 | -.01177692 |
| 6 | 5s | 1.353053 | -.00782077 |
| 7 | 3s | .426818 | .02327416 |
| 8 | 3s | 45.483076 | -.00008827 |
| 9 | 4s | .421410 | -.02397955 |
| 10 | 4s | 79.889558 | .00001753 |
| 11 | 5s | .421485 | .00822718 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648249 | < R2 > | .498529 | < 1/R > | 2.240995 | < 1/R**2 > | 20.597385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.251980 | .91837537 |
| 2 | 1s | 16.962825 | .07896403 |
| 3 | 2s | 7.042798 | .01781881 |
| 4 | 3s | 8.874151 | -.01679109 |
| 5 | 4s | 10.922606 | .00865845 |
| 6 | 5s | 28.730906 | .00107695 |
| 7 | 4s | 67.185757 | -.00004118 |
| 8 | 5s | 1.214285 | .00147664 |
| 9 | 4s | .900544 | -.00153076 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022853 | < 1/R > | 11.610795 | < 1/R**2 > | 272.304089 |
Total Energy= -192.40978696 a.u.
Kinetic Energy= 192.40631719 a.u.
Potential Energy= -384.81610415 a.u.
Virial Ratio = -2.00001803