(1s 2 2s 2 2p 2 5d 1 ) 4 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | 1.565149 | 1.59552210 |
| 2 | 4d | 1.353767 | -3.91086264 |
| 3 | 5d | 1.211673 | 3.05994921 |
| 4 | 3d | 4.833281 | .03510006 |
| 5 | 5d | 2.611234 | -.10275103 |
| 6 | 4d | 30.221337 | .00001501 |
| 7 | 5d | 22.640293 | -.00002108 |
| ORB.ENERGY,a.u. | -.750680 | ||
| NORM | .999999 | < R > | 5.489173 | < R2 > | 34.242313 | < 1/R > | .256317 | < 1/R**2 > | .141431 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.350295 | 1.20589710 |
| 2 | 3p | 5.264405 | -.22771321 |
| 3 | 2p | 12.195872 | .01807775 |
| 4 | 4p | 13.981266 | .00803266 |
| 5 | 5p | 3.430260 | .00124663 |
| 6 | 5p | 19.439817 | -.00163767 |
| 7 | 3p | 31.081808 | .00012986 |
| 8 | 3p | 2.341863 | -.00124715 |
| ORB.ENERGY,a.u. | -8.006200 | ||
| NORM | 1.000000 | < R > | .545093 | < R2 > | .362442 | < 1/R > | 2.341047 | < 1/R**2 > | 7.503605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.777858 | .37564198 |
| 2 | 2s | 4.907412 | -.82962696 |
| 3 | 3s | 5.086890 | -.27019496 |
| 4 | 4s | 19.202835 | .00271033 |
| 5 | 3s | 11.963115 | .01568467 |
| 6 | 5s | 5.045993 | -.03945730 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610185 | < R2 > | .437619 | < 1/R > | 2.384935 | < 1/R**2 > | 23.137150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173936 |
| 2 | 1s | 17.176901 | .08816691 |
| 3 | 2s | 10.304973 | .01904509 |
| 4 | 3s | 13.084333 | -.01555799 |
| 5 | 5s | 28.494577 | .00121184 |
| 6 | 4s | 69.213806 | -.00003966 |
| 7 | 5s | 8.934389 | .00063918 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022658 | < 1/R > | 11.635056 | < 1/R**2 > | 273.177569 |
Total Energy= -180.74288668 a.u.
Kinetic Energy= 180.75042192 a.u.
Potential Energy= -361.49330860 a.u.
Virial Ratio = -1.99995831