(1s 2 2s 2 2p 2 3d 1 ) 4 P Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 2.158802 | 1.06181559 |
| 2 | 3d | 5.773858 | .01847167 |
| 3 | 4d | 2.898525 | -.10065031 |
| 4 | 5d | 15.168470 | -.00036139 |
| 5 | 5d | 2.112380 | .03830023 |
| ORB.ENERGY,a.u. | -2.082500 | ||
| NORM | 1.000000 | < R > | 1.646763 | < R2 > | 3.126411 | < 1/R > | .717802 | < 1/R**2 > | .630822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.343534 | 1.21376217 |
| 2 | 3p | 5.269489 | -.23621340 |
| 3 | 2p | 11.683926 | .01978511 |
| 4 | 4p | 12.596209 | .00462893 |
| 5 | 5p | 2.177819 | -.00476658 |
| 6 | 5p | 25.765747 | -.00033165 |
| 7 | 4p | 1.899198 | .00510209 |
| ORB.ENERGY,a.u. | -7.466700 | ||
| NORM | 1.000000 | < R > | .545891 | < R2 > | .363672 | < 1/R > | 2.338637 | < 1/R**2 > | 7.490949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.763540 | .37548657 |
| 2 | 2s | 4.915614 | -.82925651 |
| 3 | 3s | 5.059749 | -.27047631 |
| 4 | 4s | 19.301459 | .00266379 |
| 5 | 3s | 11.861383 | .01634662 |
| 6 | 5s | 4.950452 | -.04242586 |
| 7 | 5s | 2.995124 | -.00041154 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .612066 | < R2 > | .440756 | < 1/R > | 2.378454 | < 1/R**2 > | 23.024435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156765 | .91173799 |
| 2 | 1s | 17.176478 | .08816787 |
| 3 | 2s | 10.306355 | .01904294 |
| 4 | 3s | 13.084393 | -.01555784 |
| 5 | 5s | 28.494133 | .00121216 |
| 6 | 4s | 69.196790 | -.00003970 |
| 7 | 5s | 8.899050 | .00064391 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129914 | < R2 > | .022658 | < 1/R > | 11.635173 | < 1/R**2 > | 273.182204 |
Total Energy= -182.09297509 a.u.
Kinetic Energy= 182.08234838 a.u.
Potential Energy= -364.17532347 a.u.
Virial Ratio = -2.00005836