(1s 2 2s 2 2p 4 5d 1 ) 4 D Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5d- electron | |
| 1 | 3d | 1.137760 | 1.05481996 |
| 2 | 4d | .821173 | -4.83395387 |
| 3 | 5d | .820287 | 4.49634396 |
| 4 | 3d | 2.489002 | .09485523 |
| 5 | 5d | 3.729559 | -.02250181 |
| 6 | 4d | 7.032042 | .00569809 |
| 7 | 5d | 11.612526 | .00014628 |
| 8 | 3d | 9.710090 | .00111852 |
| ORB.ENERGY,a.u. | -.335260 | ||
| NORM | 1.000001 | < R > | 8.172716 | < R2 > | 76.064385 | < 1/R > | .174642 | < 1/R**2 > | .068416 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.681902 | 1.26534075 |
| 2 | 3p | 4.382693 | -.34145693 |
| 3 | 5p | 3.089727 | .00101622 |
| 4 | 5p | 64.564664 | .00001475 |
| 5 | 2p | 9.196407 | .06983515 |
| 6 | 4p | 10.555118 | .01792711 |
| ORB.ENERGY,a.u. | -4.936300 | ||
| NORM | 1.000000 | < R > | .603823 | < R2 > | .451744 | < 1/R > | 2.151411 | < 1/R**2 > | 6.462281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.825733 | .34987425 |
| 2 | 2s | 4.735514 | -.83293764 |
| 3 | 3s | 4.106357 | -.29466961 |
| 4 | 4s | 14.863171 | .00959834 |
| 5 | 3s | 16.064351 | .00523371 |
| 6 | 5s | 30.013424 | .00041906 |
| 7 | 5s | 3.916584 | -.00239732 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648731 | < R2 > | .498582 | < 1/R > | 2.239209 | < 1/R**2 > | 20.567524 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829427 |
| 2 | 1s | 16.928169 | .07951191 |
| 3 | 2s | 6.355572 | .01947974 |
| 4 | 3s | 7.909467 | -.02013299 |
| 5 | 4s | 10.066825 | .00976498 |
| 6 | 5s | 28.453590 | .00098622 |
| 7 | 4s | 64.422686 | -.00005087 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130349 | < R2 > | .022847 | < 1/R > | 11.611030 | < 1/R**2 > | 272.312830 |
Total Energy= -192.31356939 a.u.
Kinetic Energy= 192.31822085 a.u.
Potential Energy= -384.63179024 a.u.
Virial Ratio = -1.99997581