(1s 2 2s 2 2p 4 4p 1 ) 4 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 5.420818 | .15608669 |
| 2 | 3p | 1.220482 | 1.27468830 |
| 3 | 4p | 2.034081 | -1.06220938 |
| 4 | 5p | 3.746584 | -.13802244 |
| 5 | 3p | 9.642177 | -.00655892 |
| 6 | 4p | 1.473537 | -.57589360 |
| 7 | 5p | 1.238118 | .90119289 |
| 8 | 3p | .429640 | .00096018 |
| 9 | 4p | 24.798892 | -.00009580 |
| ORB.ENERGY,a.u. | -.644480 | ||
| NORM | 1.000000 | < R > | 4.453497 | < R2 > | 22.429483 | < 1/R > | .313968 | < 1/R**2 > | .299658 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.665014 | 1.28454587 |
| 2 | 3p | 4.356149 | -.35974159 |
| 3 | 2p | 9.241767 | .06834363 |
| 4 | 4p | 10.651199 | .01732720 |
| 5 | 5p | 1.450675 | -.00541482 |
| 6 | 4p | 1.417943 | .00471202 |
| 7 | 4p | 46.171985 | .00002470 |
| ORB.ENERGY,a.u. | -4.818900 | ||
| NORM | 1.000000 | < R > | .604393 | < R2 > | .452768 | < 1/R > | 2.149967 | < 1/R**2 > | 6.454932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.826736 | .34957017 |
| 2 | 2s | 4.733732 | -.83287811 |
| 3 | 3s | 4.101905 | -.29475308 |
| 4 | 4s | 14.763646 | .00966757 |
| 5 | 3s | 16.061512 | .00530318 |
| 6 | 5s | 29.531977 | .00045495 |
| 7 | 5s | 3.756314 | -.00270907 |
| 8 | 4s | 1.423246 | .00021757 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .649201 | < R2 > | .499372 | < 1/R > | 2.237610 | < 1/R**2 > | 20.540309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.247795 | .91829563 |
| 2 | 1s | 16.928509 | .07951260 |
| 3 | 2s | 6.352226 | .01951559 |
| 4 | 3s | 7.894517 | -.02017315 |
| 5 | 4s | 10.043844 | .00980890 |
| 6 | 5s | 28.300894 | .00096609 |
| 7 | 4s | 64.311397 | -.00005644 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130358 | < R2 > | .022850 | < 1/R > | 11.610524 | < 1/R**2 > | 272.294273 |
Total Energy= -192.61418319 a.u.
Kinetic Energy= 192.62730514 a.u.
Potential Energy= -385.24148833 a.u.
Virial Ratio = -1.99993188