(1s 2 2s 2 2p 5 5d 1 ) 3 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | .786914 | 1.35423468 |
| 2 | 4d | .651745 | -4.18080227 |
| 3 | 5d | .606201 | 3.48053902 |
| 4 | 3d | 1.779639 | .08491128 |
| 5 | 5d | 2.721043 | -.02158690 |
| 6 | 4d | 5.541768 | .00740226 |
| 7 | 5d | 10.136140 | .00033063 |
| 8 | 3d | 7.720774 | .00169862 |
| ORB.ENERGY,a.u. | -.186300 | ||
| NORM | 1.000002 | < R > | 11.039331 | < R2 > | 138.776809 | < 1/R > | .129095 | < 1/R**2 > | .037194 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.366416 | 1.32457750 |
| 2 | 3p | 4.044867 | -.42268201 |
| 3 | 3p | 12.205545 | .00046708 |
| 4 | 4p | 1.913307 | -.00444204 |
| 5 | 2p | 8.656049 | .09234680 |
| 6 | 5p | 2.349809 | .00586923 |
| 7 | 4p | 9.945145 | .02215924 |
| 8 | 5p | 31.381361 | -.00011527 |
| ORB.ENERGY,a.u. | -3.808100 | ||
| NORM | 1.000000 | < R > | .640121 | < R2 > | .513260 | < 1/R > | 2.054119 | < 1/R**2 > | 5.965380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891405 | .33583705 |
| 2 | 2s | 4.636563 | -.82504357 |
| 3 | 3s | 3.826156 | -.30284395 |
| 4 | 4s | 15.710153 | .00604520 |
| 5 | 3s | 14.533849 | .00628907 |
| 6 | 5s | 33.212378 | .00022380 |
| 7 | 5s | 2.740127 | -.00108052 |
| 8 | 4s | 3.056201 | .00232612 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669133 | < R2 > | .533129 | < 1/R > | 2.171429 | < 1/R**2 > | 19.421983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716077 |
| 2 | 1s | 16.607703 | .09138044 |
| 3 | 2s | 6.095543 | .01901505 |
| 4 | 3s | 7.738143 | -.02089514 |
| 5 | 4s | 9.892020 | .01071737 |
| 6 | 5s | 28.774613 | .00103359 |
| 7 | 4s | 67.711794 | -.00004114 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603307 | < 1/R**2 > | 272.037624 |
Total Energy= -196.12529674 a.u.
Kinetic Energy= 196.12678887 a.u.
Potential Energy= -392.25208561 a.u.
Virial Ratio = -1.99999239