(1s 2 2s 2 2p 4 5p 1 ) 2 P Mg 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 2.580598 | .16060372 |
| 2 | 3p | 1.198309 | -1.61371176 |
| 3 | 4p | 1.001751 | 3.63760905 |
| 4 | 5p | .859262 | -2.76742450 |
| 5 | 2p | 6.613666 | .03215288 |
| 6 | 5p | 16.321619 | -.00086589 |
| 7 | 4p | 24.344350 | -.00030260 |
| 8 | 2p | 1.304828 | -.03066527 |
| 9 | 4p | .472551 | .00341591 |
| ORB.ENERGY,a.u. | -.374110 | ||
| NORM | 1.000001 | < R > | 7.804411 | < R2 > | 68.432664 | < 1/R > | .176168 | < 1/R**2 > | .095995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.665494 | 1.07161941 |
| 2 | 3p | 4.341562 | -.20480270 |
| 3 | 2p | 7.038778 | .17722662 |
| 4 | 4p | 9.946545 | -.01388338 |
| 5 | 5p | 1.156797 | .05423689 |
| 6 | 4p | .870997 | -.05079074 |
| 7 | 3p | 12.346531 | -.01213684 |
| 8 | 5p | 26.432377 | -.00022408 |
| 9 | 3p | .545357 | -.00446795 |
| ORB.ENERGY,a.u. | -4.915600 | ||
| NORM | 1.000000 | < R > | .603298 | < R2 > | .455737 | < 1/R > | 2.153666 | < 1/R**2 > | 6.472440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.810808 | .35062164 |
| 2 | 2s | 4.727620 | -.84227177 |
| 3 | 3s | 3.986048 | -.30146415 |
| 4 | 4s | 14.713269 | .01058204 |
| 5 | 3s | 16.535087 | .00493103 |
| 6 | 5s | 29.182181 | .00050450 |
| 7 | 5s | 4.479898 | .01494524 |
| ORB.ENERGY,a.u. | -5.289300 | ||
| NORM | 1.000000 | < R > | .648783 | < R2 > | .498643 | < 1/R > | 2.238916 | < 1/R**2 > | 20.562041 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.248069 | .91829254 |
| 2 | 1s | 16.927534 | .07951375 |
| 3 | 2s | 6.351244 | .01950552 |
| 4 | 3s | 7.898555 | -.02016198 |
| 5 | 4s | 10.052418 | .00979234 |
| 6 | 5s | 28.356912 | .00097569 |
| 7 | 4s | 64.406969 | -.00005462 |
| ORB.ENERGY,a.u. | -50.453000 |
| NORM | 1.000000 | < R > | .130354 | < R2 > | .022849 | < 1/R > | 11.610761 | < 1/R**2 > | 272.302966 |
Total Energy= -192.36476149 a.u.
Kinetic Energy= 192.35701664 a.u.
Potential Energy= -384.72177813 a.u.
Virial Ratio = -2.00004026