(1s 2 2s 2 2p 4 4d 1 ) 4 F Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 1.186638 | 1.21053713 |
| 2 | 4d | 1.013554 | -1.74871803 |
| 3 | 3d | 4.108919 | .04276599 |
| 4 | 4d | 2.734012 | .04477065 |
| 5 | 5d | 6.590227 | -.00265591 |
| 6 | 4d | 26.008406 | .00002651 |
| ORB.ENERGY,a.u. | -.520370 | ||
| NORM | 1.000000 | < R > | 4.974297 | < R2 > | 28.500574 | < 1/R > | .273026 | < 1/R**2 > | .129344 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.068667 | .07360580 |
| 2 | 4p | 10.373062 | .01757942 |
| 3 | 2p | 3.662164 | 1.26905722 |
| 4 | 3p | 4.349621 | -.34818662 |
| 5 | 5p | 2.366216 | .00519904 |
| 6 | 5p | 28.782740 | -.00013516 |
| 7 | 4p | 1.924783 | -.00481425 |
| ORB.ENERGY,a.u. | -4.820700 | ||
| NORM | 1.000000 | < R > | .604152 | < R2 > | .452370 | < 1/R > | 2.150730 | < 1/R**2 > | 6.459214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.823978 | .34988230 |
| 2 | 2s | 4.736623 | -.83298355 |
| 3 | 3s | 4.103976 | -.29469329 |
| 4 | 4s | 14.810676 | .00971924 |
| 5 | 3s | 16.103368 | .00523607 |
| 6 | 5s | 29.749334 | .00044020 |
| 7 | 5s | 3.886450 | -.00279167 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648947 | < R2 > | .498985 | < 1/R > | 2.238613 | < 1/R**2 > | 20.558002 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829557 |
| 2 | 1s | 16.928705 | .07950951 |
| 3 | 2s | 6.357344 | .01947435 |
| 4 | 3s | 7.911803 | -.02012696 |
| 5 | 4s | 10.068815 | .00976170 |
| 6 | 5s | 28.482022 | .00098780 |
| 7 | 4s | 64.368996 | -.00004982 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130349 | < R2 > | .022846 | < 1/R > | 11.611069 | < 1/R**2 > | 272.314307 |
Total Energy= -192.50258398 a.u.
Kinetic Energy= 192.50333700 a.u.
Potential Energy= -385.00592098 a.u.
Virial Ratio = -1.99999609