(1s 2 2s 2 2p 3 3p 1 ) 3 P Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 1.943845 | 1.05499940 |
| 2 | 3p | 2.026933 | -1.81452041 |
| 3 | 2p | 7.139753 | .07740026 |
| 4 | 4p | 3.822016 | -.08892568 |
| 5 | 5p | 1.843389 | -.09638928 |
| 6 | 5p | 11.151610 | .00382917 |
| 7 | 4p | 23.735660 | -.00038331 |
| 8 | 4p | 1.616984 | .06941397 |
| 9 | 3p | 35.835219 | -.00003205 |
| ORB.ENERGY,a.u. | -1.757600 | ||
| NORM | 1.000000 | < R > | 2.003851 | < R2 > | 4.521279 | < 1/R > | .627027 | < 1/R**2 > | .756572 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.302865 | 1.41279091 |
| 2 | 3p | 5.679440 | -.50777550 |
| 3 | 4p | 7.157721 | .09642714 |
| 4 | 5p | 2.270637 | -.03725287 |
| 5 | 4p | 18.224543 | -.00263450 |
| 6 | 3p | 21.174895 | -.00074379 |
| 7 | 5p | 2.095912 | .01905444 |
| 8 | 3p | 1.153807 | -.00188793 |
| ORB.ENERGY,a.u. | -6.105200 | ||
| NORM | 1.000000 | < R > | .563354 | < R2 > | .386919 | < 1/R > | 2.268737 | < 1/R**2 > | 7.076582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.740970 | .36462872 |
| 2 | 2s | 4.832203 | -.84594652 |
| 3 | 3s | 4.386271 | -.28562883 |
| 4 | 4s | 19.523373 | .00240247 |
| 5 | 3s | 11.641988 | .01727465 |
| 6 | 5s | 4.024615 | -.00761268 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .631230 | < R2 > | .470359 | < 1/R > | 2.302751 | < 1/R**2 > | 21.672756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.165890 | .91186469 |
| 2 | 1s | 17.089635 | .08750319 |
| 3 | 2s | 9.734263 | .01785663 |
| 4 | 3s | 13.885110 | -.01494980 |
| 5 | 4s | 22.002240 | .00341750 |
| 6 | 5s | 40.450205 | .00010190 |
| 7 | 5s | 8.345728 | .00072251 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130196 | < R2 > | .022779 | < 1/R > | 11.619315 | < 1/R**2 > | 272.608663 |
Total Energy= -188.65416967 a.u.
Kinetic Energy= 188.61755436 a.u.
Potential Energy= -377.27172403 a.u.
Virial Ratio = -2.00019412