(1s 2 2s 2 2p 2 ) 3 P Mg 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 4.511284 | 1.09176664 |
| 2 | 3p | 5.788763 | -.12262676 |
| 3 | 2p | 10.754787 | .02598046 |
| 4 | 5p | 13.442577 | .00484868 |
| 5 | 4p | 26.410269 | -.00032472 |
| 6 | 5p | 4.710756 | .02119523 |
| 7 | 5p | 85.074964 | -.00000523 |
| 8 | 4p | 4.347024 | -.00602472 |
| ORB.ENERGY,a.u. | -8.269800 | ||
| NORM | 1.000000 | < R > | .544406 | < R2 > | .361457 | < 1/R > | 2.343404 | < 1/R**2 > | 7.516663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.455382 | .33996541 |
| 2 | 2s | 4.280994 | -.81058684 |
| 3 | 3s | 5.861472 | -.28278218 |
| 4 | 4s | 22.486235 | .00139387 |
| 5 | 5s | 12.811359 | -.01100013 |
| 6 | 5s | 7.485647 | .03261199 |
| ORB.ENERGY,a.u. | -9.202500 | ||
| NORM | 1.000000 | < R > | .609743 | < R2 > | .436923 | < 1/R > | 2.386638 | < 1/R**2 > | 23.168019 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.122184 | .93648125 |
| 2 | 1s | 18.093134 | .07166671 |
| 3 | 2s | 9.791286 | .01808711 |
| 4 | 3s | 17.127055 | -.01131701 |
| 5 | 4s | 14.340665 | -.01383426 |
| 6 | 5s | 30.086433 | .00089050 |
| 7 | 5s | 7.208644 | .00024124 |
| 8 | 3s | 48.558202 | -.00006704 |
| ORB.ENERGY,a.u. | -56.187000 |
| NORM | 1.000000 | < R > | .129917 | < R2 > | .022659 | < 1/R > | 11.634975 | < 1/R**2 > | 273.174374 |
Total Energy= -179.99974567 a.u.
Kinetic Energy= 179.99974438 a.u.
Potential Energy= -359.99949005 a.u.
Virial Ratio = -2.00000001