(1s 2 2s 2 2p 1 4s 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 9.914325 | .10566502 |
| 2 | 2s | 2.344685 | -1.43018722 |
| 3 | 3s | 2.391778 | 2.90414813 |
| 4 | 4s | 1.876635 | -2.07055829 |
| 5 | 5s | 8.331124 | -.03495817 |
| 6 | 4s | 11.137856 | -.03102633 |
| 7 | 5s | 16.137002 | .00359623 |
| 8 | 5s | 1.527942 | .01553429 |
| 9 | 4s | 40.784937 | -.00011035 |
| ORB.ENERGY,a.u. | -1.820100 | ||
| NORM | 1.000002 | < R > | 2.901446 | < R2 > | 9.453572 | < 1/R > | .494546 | < 1/R**2 > | 1.947998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.666945 | 1.08210206 |
| 2 | 3p | 5.752501 | -.10613923 |
| 3 | 2p | 11.186646 | .02191884 |
| 4 | 5p | 13.436634 | .00441337 |
| 5 | 4p | 25.799551 | -.00038315 |
| 6 | 5p | 4.671799 | .00810101 |
| 7 | 5p | 83.536705 | -.00000581 |
| 8 | 3p | 2.349854 | -.00138808 |
| ORB.ENERGY,a.u. | -9.328100 | ||
| NORM | 1.000000 | < R > | .522779 | < R2 > | .331781 | < 1/R > | 2.426928 | < 1/R**2 > | 8.009901 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.424325 | .35220221 |
| 2 | 2s | 4.422488 | -.78524916 |
| 3 | 3s | 6.178675 | -.27920090 |
| 4 | 4s | 22.912428 | .00151452 |
| 5 | 5s | 12.473794 | -.01622658 |
| 6 | 5s | 1.961517 | .00261823 |
| 7 | 2s | 72.519605 | -.00000168 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592496 | < R2 > | .411422 | < 1/R > | 2.460591 | < 1/R**2 > | 24.525064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197464 | .92293664 |
| 2 | 1s | 17.405845 | .07877120 |
| 3 | 2s | 9.972377 | .01685984 |
| 4 | 3s | 12.659763 | -.01583013 |
| 5 | 4s | 63.920074 | -.00005711 |
| 6 | 5s | 27.867442 | .00113548 |
| 7 | 5s | 4.814695 | .00018227 |
| 8 | 3s | 1.198565 | -.00017460 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129624 | < R2 > | .022534 | < 1/R > | 11.651546 | < 1/R**2 > | 273.773949 |
Total Energy= -173.54685785 a.u.
Kinetic Energy= 173.55086278 a.u.
Potential Energy= -347.09772063 a.u.
Virial Ratio = -1.99997692