(1s 2 2s 2 2p 4 4d 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 1.147868 | 1.35117308 |
| 2 | 4d | .989418 | -1.84706363 |
| 3 | 3d | 4.900405 | .01546456 |
| 4 | 4d | 3.397760 | .01446088 |
| 5 | 5d | 12.360563 | -.00015888 |
| 6 | 5d | .806240 | .00758248 |
| ORB.ENERGY,a.u. | -.505810 | ||
| NORM | .999998 | < R > | 5.151197 | < R2 > | 30.464325 | < 1/R > | .259678 | < 1/R**2 > | .112887 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.684360 | 1.27411198 |
| 2 | 2p | 9.250583 | .06781927 |
| 3 | 3p | 4.389896 | -.34815316 |
| 4 | 4p | 10.626591 | .01734663 |
| 5 | 5p | 62.804280 | .00001626 |
| 6 | 5p | 2.687562 | .00085619 |
| ORB.ENERGY,a.u. | -4.806100 | ||
| NORM | 1.000000 | < R > | .603590 | < R2 > | .451384 | < 1/R > | 2.152112 | < 1/R**2 > | 6.465967 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.825641 | .34981618 |
| 2 | 2s | 4.735562 | -.83284976 |
| 3 | 3s | 4.106723 | -.29455397 |
| 4 | 4s | 14.829222 | .00962182 |
| 5 | 3s | 16.065018 | .00525800 |
| 6 | 5s | 29.828078 | .00043228 |
| 7 | 5s | 3.876959 | -.00284518 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648886 | < R2 > | .498869 | < 1/R > | 2.238773 | < 1/R**2 > | 20.560560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248207 | .91829238 |
| 2 | 1s | 16.927759 | .07951367 |
| 3 | 2s | 6.354216 | .01948656 |
| 4 | 3s | 7.906611 | -.02014041 |
| 5 | 4s | 10.063605 | .00977008 |
| 6 | 5s | 28.430832 | .00098413 |
| 7 | 4s | 64.418763 | -.00005187 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130350 | < R2 > | .022847 | < 1/R > | 11.610986 | < 1/R**2 > | 272.311231 |
Total Energy= -192.50160862 a.u.
Kinetic Energy= 192.48875779 a.u.
Potential Energy= -384.99036641 a.u.
Virial Ratio = -2.00006676