(1s 2 2s 2 2p 4 4d 1 ) 2 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | 1.212733 | 1.16642894 |
| 2 | 4d | .994939 | -1.68314707 |
| 3 | 3d | 4.560631 | .02650685 |
| 4 | 4d | 3.127678 | .02847862 |
| 5 | 5d | 7.317797 | -.00066226 |
| 6 | 5d | .845437 | .01456681 |
| 7 | 4d | 30.264340 | .00000996 |
| ORB.ENERGY,a.u. | -.515610 | ||
| NORM | .999998 | < R > | 5.033156 | < R2 > | 29.141218 | < 1/R > | .268274 | < 1/R**2 > | .123291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.069278 | .07363817 |
| 2 | 4p | 10.377398 | .01759924 |
| 3 | 2p | 3.665953 | 1.26589791 |
| 4 | 3p | 4.353190 | -.34504428 |
| 5 | 5p | 28.704794 | -.00013426 |
| 6 | 5p | 2.352320 | .00430956 |
| 7 | 4p | 1.883913 | -.00378919 |
| ORB.ENERGY,a.u. | -4.815900 | ||
| NORM | 1.000000 | < R > | .603945 | < R2 > | .452014 | < 1/R > | 2.151252 | < 1/R**2 > | 6.461781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.824564 | .34985943 |
| 2 | 2s | 4.736277 | -.83293699 |
| 3 | 3s | 4.104860 | -.29466159 |
| 4 | 4s | 14.816557 | .00969524 |
| 5 | 3s | 16.098159 | .00523814 |
| 6 | 5s | 29.762013 | .00043776 |
| 7 | 5s | 3.879236 | -.00279538 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648925 | < R2 > | .498943 | < 1/R > | 2.238672 | < 1/R**2 > | 20.558943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829427 |
| 2 | 1s | 16.928360 | .07951102 |
| 3 | 2s | 6.356681 | .01947818 |
| 4 | 3s | 7.910290 | -.02013086 |
| 5 | 4s | 10.067146 | .00976507 |
| 6 | 5s | 28.464896 | .00098600 |
| 7 | 4s | 64.365630 | -.00005068 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130349 | < R2 > | .022847 | < 1/R > | 11.611038 | < 1/R**2 > | 272.313136 |
Total Energy= -192.50263901 a.u.
Kinetic Energy= 192.49858661 a.u.
Potential Energy= -385.00122562 a.u.
Virial Ratio = -2.00002105