(1s 2 2s 2 2p 1 3d 1 ) 3 F Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 2.454092 | 1.10680745 |
| 2 | 3d | 5.330867 | .04722179 |
| 3 | 4d | 2.865034 | -.13852020 |
| 4 | 5d | 16.578997 | -.00014304 |
| 5 | 4d | 13.076198 | -.00047392 |
| ORB.ENERGY,a.u. | -2.878700 | ||
| NORM | 1.000000 | < R > | 1.373743 | < R2 > | 2.182498 | < 1/R > | .863249 | < 1/R**2 > | .914492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.636264 | 1.09986257 |
| 2 | 3p | 6.003627 | -.13842241 |
| 3 | 2p | 9.610430 | .02996075 |
| 4 | 5p | 10.620290 | .00959821 |
| 5 | 4p | 20.448779 | -.00224998 |
| 6 | 5p | 4.204743 | .01461508 |
| 7 | 3p | 26.324788 | -.00036494 |
| ORB.ENERGY,a.u. | -8.986500 | ||
| NORM | 1.000000 | < R > | .529567 | < R2 > | .341904 | < 1/R > | 2.404627 | < 1/R**2 > | 7.887809 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.549705 | .34464953 |
| 2 | 2s | 4.248945 | -.79648034 |
| 3 | 3s | 6.450928 | -.27559201 |
| 4 | 4s | 22.841982 | .00140947 |
| 5 | 5s | 12.627501 | -.01456609 |
| 6 | 5s | 4.863789 | .01654949 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .594836 | < R2 > | .415116 | < 1/R > | 2.451375 | < 1/R**2 > | 24.354946 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.198051 | .92305101 |
| 2 | 1s | 17.414913 | .07865244 |
| 3 | 2s | 10.030814 | .01684404 |
| 4 | 3s | 12.679581 | -.01584876 |
| 5 | 4s | 63.401856 | -.00005879 |
| 6 | 5s | 27.807717 | .00112619 |
| 7 | 5s | 7.349590 | .00012742 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129613 | < R2 > | .022530 | < 1/R > | 11.652332 | < 1/R**2 > | 273.805523 |
Total Energy= -174.56394702 a.u.
Kinetic Energy= 174.61156560 a.u.
Potential Energy= -349.17551263 a.u.
Virial Ratio = -1.99972729