(1s 2 2s 2 2p 1 4p 1 ) 1 S Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1041.
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 | 4p- electron | |
| 1 | 2p | 5.082630 | .16910150 |
| 2 | 3p | 1.920532 | -.92497965 |
| 3 | 5p | 2.060402 | 1.32428825 |
| 4 | 4p | 2.987860 | -.35430971 |
| 5 | 5p | 6.183133 | .05519130 |
| 6 | 4p | 13.449496 | -.00317364 |
| 7 | 5p | 1.797899 | .35401013 |
| 8 | 5p | 31.244979 | -.00040051 |
| 9 | 4p | 48.057486 | -.00007306 |
| ORB.ENERGY,a.u. | -1.666900 | ||
| NORM | 1.000000 | < R > | 3.008473 | < R2 > | 10.195455 | < 1/R > | .423656 | < 1/R**2 > | .336398 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.716583 | 1.03017902 |
| 2 | 3p | 1.972601 | -.14397141 |
| 3 | 2p | 11.316318 | .02842687 |
| 4 | 5p | 8.557646 | -.02329418 |
| 5 | 5p | 2.110520 | .14205463 |
| 6 | 4p | 14.795071 | .00146695 |
| 7 | 4p | 1.497198 | .05460547 |
| 8 | 5p | 27.505214 | -.00031368 |
| 9 | 3p | 1.070165 | -.01070404 |
| 10 | 3p | 58.336600 | .00000433 |
| ORB.ENERGY,a.u. | -9.295200 | ||
| NORM | 1.000000 | < R > | .527206 | < R2 > | .402005 | < 1/R > | 2.479699 | < 1/R**2 > | 8.341520 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.524005 | .34694277 |
| 2 | 2s | 4.280582 | -.79723670 |
| 3 | 3s | 6.412526 | -.27774095 |
| 4 | 4s | 22.438044 | .00170758 |
| 5 | 5s | 12.527820 | -.01331815 |
| 6 | 5s | 4.792595 | .01805794 |
| 7 | 4s | 2.005478 | .00034455 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592814 | < R2 > | .411847 | < 1/R > | 2.458900 | < 1/R**2 > | 24.491617 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.194205 | .92264193 |
| 2 | 1s | 17.379640 | .07926759 |
| 3 | 2s | 9.719287 | .01718730 |
| 4 | 3s | 12.441830 | -.01619291 |
| 5 | 4s | 60.144535 | -.00007328 |
| 6 | 5s | 27.662187 | .00097248 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129643 | < R2 > | .022542 | < 1/R > | 11.650462 | < 1/R**2 > | 273.735448 |
Total Energy= -173.43533814 a.u.
Kinetic Energy= 173.39898574 a.u.
Potential Energy= -346.83432388 a.u.
Virial Ratio = -2.00020965