(1s 2 2s 2 2p 1 5s 1 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 9.978479 | .07274077 |
| 2 | 2s | 2.129675 | -1.23017037 |
| 3 | 3s | 2.184536 | 3.00444720 |
| 4 | 4s | 1.519628 | -6.41345091 |
| 5 | 5s | 1.503683 | 5.42415184 |
| 6 | 5s | 8.144328 | -.02933553 |
| 7 | 4s | 10.669077 | -.02409547 |
| 8 | 4s | 25.316081 | -.00048668 |
| 9 | 5s | 1.221251 | -.03629508 |
| 10 | 5s | 69.311075 | -.00002783 |
| ORB.ENERGY,a.u. | -1.122100 | ||
| NORM | 1.000003 | < R > | 4.693656 | < R2 > | 24.649993 | < 1/R > | .308115 | < 1/R**2 > | .942697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.673376 | 1.08157452 |
| 2 | 3p | 5.769723 | -.10446185 |
| 3 | 2p | 11.056652 | .02234101 |
| 4 | 5p | 13.292966 | .00348430 |
| 5 | 4p | 23.558454 | -.00070595 |
| 6 | 5p | 4.837175 | .01059288 |
| 7 | 5p | 69.094593 | -.00001748 |
| 8 | 4p | 4.077148 | -.00445239 |
| ORB.ENERGY,a.u. | -9.482700 | ||
| NORM | 1.000000 | < R > | .522254 | < R2 > | .331046 | < 1/R > | 2.428921 | < 1/R**2 > | 8.021826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.416751 | .35282307 |
| 2 | 2s | 4.439241 | -.78422553 |
| 3 | 3s | 6.136274 | -.27985085 |
| 4 | 4s | 23.392101 | .00147653 |
| 5 | 5s | 12.460920 | -.01720289 |
| 6 | 5s | 2.333857 | .00193571 |
| 7 | 3s | .806544 | -.00514852 |
| 8 | 3s | 45.204162 | .00002057 |
| 9 | 2s | .587387 | .00356515 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .592042 | < R2 > | .410732 | < 1/R > | 2.462321 | < 1/R**2 > | 24.555608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.197710 | .92346745 |
| 2 | 1s | 17.453651 | .07816801 |
| 3 | 2s | 10.195175 | .01676498 |
| 4 | 3s | 12.823716 | -.01571862 |
| 5 | 4s | 64.270266 | -.00005566 |
| 6 | 5s | 27.890046 | .00115752 |
| 7 | 5s | 7.250262 | .00015945 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129622 | < R2 > | .022533 | < 1/R > | 11.651707 | < 1/R**2 > | 273.780735 |
Total Energy= -172.85202954 a.u.
Kinetic Energy= 172.85384528 a.u.
Potential Energy= -345.70587481 a.u.
Virial Ratio = -1.99998950