(1s 2 2s 2 2p 4 ) 1 D Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 4.136838 | 1.45579700 |
| 2 | 3p | 5.575467 | -.56314873 |
| 3 | 4p | 7.107951 | .09027237 |
| 4 | 5p | 3.716687 | .04295121 |
| 5 | 4p | 19.447457 | -.00251390 |
| 6 | 4p | 2.797477 | -.01573139 |
| 7 | 5p | 44.579690 | -.00017963 |
| 8 | 3p | 1.925879 | .00300687 |
| 9 | 4p | 67.890308 | -.00003692 |
| ORB.ENERGY,a.u. | -4.953500 | ||
| NORM | 1.000000 | < R > | .605844 | < R2 > | .455164 | < 1/R > | 2.146490 | < 1/R**2 > | 6.439963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.800022 | .35153186 |
| 2 | 2s | 4.715335 | -.85131814 |
| 3 | 3s | 4.056207 | -.27739235 |
| 4 | 4s | 18.005384 | .00305580 |
| 5 | 3s | 12.078771 | .01327692 |
| 6 | 5s | 6.108139 | -.00287504 |
| 7 | 5s | 36.169969 | .00012281 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .648200 | < R2 > | .497691 | < 1/R > | 2.241011 | < 1/R**2 > | 20.598328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.154911 | .91022361 |
| 2 | 1s | 17.002246 | .08942531 |
| 3 | 2s | 9.159064 | .01825145 |
| 4 | 3s | 13.694158 | -.01526929 |
| 5 | 4s | 21.406273 | .00358378 |
| 6 | 5s | 39.896789 | .00017144 |
| 7 | 5s | 7.267711 | .00066530 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130345 | < R2 > | .022845 | < 1/R > | 11.611287 | < 1/R**2 > | 272.321986 |
Total Energy= -191.98250255 a.u.
Kinetic Energy= 191.81390954 a.u.
Potential Energy= -383.79641209 a.u.
Virial Ratio = -2.00087894