(1s 2 2s 2 2p 1 5p 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 3.183013 | .28731810 |
| 2 | 3p | 1.716237 | -3.00182811 |
| 3 | 4p | 1.471656 | 7.89495101 |
| 4 | 5p | 1.471815 | -6.13241607 |
| 5 | 2p | 7.487778 | .02195017 |
| 6 | 5p | 2.135334 | .25953178 |
| 7 | 5p | 23.203981 | -.00048458 |
| 8 | 4p | 34.419653 | -.00010536 |
| ORB.ENERGY,a.u. | -1.065400 | ||
| NORM | .999998 | < R > | 4.789221 | < R2 > | 25.796389 | < 1/R > | .282970 | < 1/R**2 > | .203401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.967188 | .95507043 |
| 2 | 3p | 1.026750 | -.31081127 |
| 3 | 2p | 12.047861 | .01674515 |
| 4 | 5p | 5.984973 | .05919137 |
| 5 | 4p | 22.146367 | -.00093304 |
| 6 | 5p | 1.949173 | .25448275 |
| 7 | 4p | .983178 | .05800944 |
| 8 | 3p | 34.260123 | -.00004549 |
| ORB.ENERGY,a.u. | -9.485300 | ||
| NORM | 1.000000 | < R > | .530658 | < R2 > | .413579 | < 1/R > | 2.448368 | < 1/R**2 > | 8.149607 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.528826 | .34704578 |
| 2 | 2s | 4.274623 | -.79863387 |
| 3 | 3s | 6.417080 | -.27706153 |
| 4 | 4s | 22.719244 | .00155049 |
| 5 | 5s | 12.544469 | -.01415109 |
| 6 | 5s | 4.791188 | .02070808 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592242 | < R2 > | .410992 | < 1/R > | 2.461313 | < 1/R**2 > | 24.535834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.196782 | .92308856 |
| 2 | 1s | 17.431663 | .07854944 |
| 3 | 2s | 10.082598 | .01695361 |
| 4 | 3s | 12.743608 | -.01585440 |
| 5 | 4s | 63.579507 | -.00005862 |
| 6 | 5s | 27.780991 | .00113257 |
| 7 | 5s | 7.576169 | .00010327 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129631 | < R2 > | .022537 | < 1/R > | 11.651188 | < 1/R**2 > | 273.762237 |
Total Energy= -172.79727813 a.u.
Kinetic Energy= 172.79780771 a.u.
Potential Energy= -345.59508583 a.u.
Virial Ratio = -1.99999694