(1s 2 2s 2 2p 1 5p 1 ) 3 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 3.468617 | .35674700 |
| 2 | 3p | 1.731729 | -2.92284263 |
| 3 | 4p | 1.485991 | 7.87657250 |
| 4 | 5p | 1.470362 | -5.92932852 |
| 5 | 2p | 8.881255 | .01924383 |
| 6 | 5p | 15.512144 | .00106795 |
| 7 | 5p | 7.296618 | -.02012827 |
| 8 | 4p | .485621 | -.00047742 |
| ORB.ENERGY,a.u. | -1.061600 | ||
| NORM | 1.000003 | < R > | 4.814683 | < R2 > | 26.061181 | < 1/R > | .298890 | < 1/R**2 > | .315002 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.681751 | 1.08120392 |
| 2 | 3p | 5.793049 | -.10677992 |
| 3 | 2p | 10.909556 | .02288493 |
| 4 | 5p | 12.603846 | .00427586 |
| 5 | 4p | 23.867348 | -.00080914 |
| 6 | 5p | 5.054825 | .00762411 |
| 7 | 5p | 72.506653 | -.00001847 |
| ORB.ENERGY,a.u. | -9.481500 | ||
| NORM | 1.000000 | < R > | .521613 | < R2 > | .330244 | < 1/R > | 2.431882 | < 1/R**2 > | 8.040793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.527005 | .34713481 |
| 2 | 2s | 4.277591 | -.79823389 |
| 3 | 3s | 6.412692 | -.27714328 |
| 4 | 4s | 22.725228 | .00154861 |
| 5 | 5s | 12.543124 | -.01419070 |
| 6 | 5s | 4.785703 | .02022144 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592244 | < R2 > | .410995 | < 1/R > | 2.461306 | < 1/R**2 > | 24.535704 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194510 | .92245434 |
| 2 | 1s | 17.364814 | .07947732 |
| 3 | 2s | 9.678219 | .01719952 |
| 4 | 3s | 12.374661 | -.01622914 |
| 5 | 4s | 59.594651 | -.00007677 |
| 6 | 5s | 27.700863 | .00093764 |
| 7 | 4s | 3.259558 | .00002062 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651176 | < 1/R**2 > | 273.761745 |
Total Energy= -172.79330884 a.u.
Kinetic Energy= 172.79394617 a.u.
Potential Energy= -345.58725502 a.u.
Virial Ratio = -1.99999631