(1s 2 2s 2 2p 2 5d 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 1.511575 | 1.59623060 |
| 2 | 4d | 1.328211 | -4.15315062 |
| 3 | 5d | 1.197392 | 3.20580269 |
| 4 | 3d | 3.701448 | .05846847 |
| 5 | 5d | 5.798962 | -.01371524 |
| 6 | 4d | 16.244301 | .00026068 |
| 7 | 5d | .822513 | -.00556088 |
| 8 | 5d | 44.489067 | .00001785 |
| 9 | 3d | 48.585900 | .00000344 |
| ORB.ENERGY,a.u. | -.739740 | ||
| NORM | 1.000001 | < R > | 5.576089 | < R2 > | 35.337108 | < 1/R > | .251526 | < 1/R**2 > | .133593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.341482 | 1.21561096 |
| 2 | 3p | 5.264372 | -.23592424 |
| 3 | 2p | 11.662834 | .02006297 |
| 4 | 4p | 12.658607 | .00466411 |
| 5 | 5p | 25.628401 | -.00034750 |
| 6 | 5p | 3.138884 | .01412997 |
| 7 | 4p | 2.790164 | -.01600530 |
| ORB.ENERGY,a.u. | -7.995200 | ||
| NORM | 1.000000 | < R > | .544798 | < R2 > | .362065 | < 1/R > | 2.342195 | < 1/R**2 > | 7.510203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.779850 | .37553839 |
| 2 | 2s | 4.906092 | -.82948826 |
| 3 | 3s | 5.089422 | -.27010451 |
| 4 | 4s | 19.180347 | .00271381 |
| 5 | 3s | 11.979204 | .01559808 |
| 6 | 5s | 5.043747 | -.03947817 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610173 | < R2 > | .437602 | < 1/R > | 2.384996 | < 1/R**2 > | 23.138404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173807 |
| 2 | 1s | 17.176485 | .08816891 |
| 3 | 2s | 10.302186 | .01904703 |
| 4 | 3s | 13.083575 | -.01555830 |
| 5 | 5s | 28.485872 | .00121188 |
| 6 | 4s | 69.220409 | -.00003993 |
| 7 | 5s | 8.935173 | .00063761 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022659 | < 1/R > | 11.635016 | < 1/R**2 > | 273.176060 |
Total Energy= -180.74298762 a.u.
Kinetic Energy= 180.73947870 a.u.
Potential Energy= -361.48246632 a.u.
Virial Ratio = -2.00001941