(1s 2 2s 2 2p 5 3p 1 ) 3 S Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3031.
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 | 3p- electron | |
| 1 | 2p | 3.516000 | .35898026 |
| 2 | 3p | 1.441009 | -.99638815 |
| 3 | 4p | 5.303527 | -.06785527 |
| 4 | 2p | 9.039412 | .02562576 |
| 5 | 5p | 14.366302 | .00190826 |
| 6 | 5p | 1.397016 | -.06210996 |
| ORB.ENERGY,a.u. | -.803350 | ||
| NORM | 1.000000 | < R > | 2.559322 | < R2 > | 7.535548 | < 1/R > | .521387 | < 1/R**2 > | .619989 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.115179 | 1.39875090 |
| 2 | 3p | 3.677524 | -.52826112 |
| 3 | 2p | 8.059344 | .12882573 |
| 4 | 4p | 9.199308 | .02594387 |
| 5 | 5p | 2.325581 | .00942700 |
| 6 | 4p | 2.736864 | -.02295352 |
| 7 | 5p | 28.575898 | -.00018954 |
| 8 | 3p | .979473 | .00103520 |
| 9 | 3p | 17.259239 | -.00042406 |
| ORB.ENERGY,a.u. | -3.480200 | ||
| NORM | 1.000000 | < R > | .644030 | < R2 > | .521433 | < 1/R > | 2.046454 | < 1/R**2 > | 5.929921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.895338 | .33504056 |
| 2 | 2s | 4.632194 | -.82407341 |
| 3 | 3s | 3.825153 | -.30174495 |
| 4 | 4s | 15.681621 | .00581560 |
| 5 | 3s | 14.412593 | .00650325 |
| 6 | 5s | 32.767907 | .00023473 |
| 7 | 5s | 2.671584 | -.00179898 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .670531 | < R2 > | .535739 | < 1/R > | 2.167458 | < 1/R**2 > | 19.357847 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.192885 | .90716210 |
| 2 | 1s | 16.607735 | .09138439 |
| 3 | 2s | 6.092872 | .01905551 |
| 4 | 3s | 7.725785 | -.02092906 |
| 5 | 4s | 9.870465 | .01076436 |
| 6 | 5s | 28.529078 | .00100932 |
| 7 | 4s | 67.543977 | -.00004848 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130505 | < R2 > | .022915 | < 1/R > | 11.602637 | < 1/R**2 > | 272.013201 |
Total Energy= -196.70348351 a.u.
Kinetic Energy= 196.74372934 a.u.
Potential Energy= -393.44721285 a.u.
Virial Ratio = -1.99979544