(1s 2 2s 2 2p 5 5d 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 5d- electron | |
| 1 | 3d | .663437 | 2.51292407 |
| 2 | 4d | .629586 | -6.15071973 |
| 3 | 5d | .597660 | 4.31396669 |
| 4 | 3d | 1.786558 | .00619564 |
| 5 | 5d | 3.250711 | -.00205944 |
| 6 | 4d | 6.704897 | .00164970 |
| 7 | 5d | 13.745211 | .00005543 |
| 8 | 3d | 10.301872 | .00023080 |
| ORB.ENERGY,a.u. | -.180700 | ||
| NORM | .999992 | < R > | 11.452127 | < R2 > | 148.787118 | < 1/R > | .120780 | < 1/R**2 > | .029502 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.331067 | 1.33044478 |
| 2 | 3p | 3.983110 | -.43255119 |
| 3 | 2p | 8.670676 | .09486005 |
| 4 | 4p | 9.926013 | .02582273 |
| 5 | 5p | 20.737108 | .00064147 |
| 6 | 5p | 2.485147 | .01063283 |
| 7 | 4p | 37.744199 | .00008254 |
| 8 | 4p | 2.248402 | -.01241874 |
| ORB.ENERGY,a.u. | -3.802500 | ||
| NORM | 1.000000 | < R > | .639807 | < R2 > | .512627 | < 1/R > | 2.054722 | < 1/R**2 > | 5.968061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.871925 | .33683487 |
| 2 | 2s | 4.620885 | -.83924899 |
| 3 | 3s | 3.646819 | -.31419573 |
| 4 | 4s | 20.141707 | .00435585 |
| 5 | 3s | 17.656982 | .00300972 |
| 6 | 5s | 16.741625 | .00648277 |
| 7 | 5s | 4.062598 | .02958214 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669106 | < R2 > | .533069 | < 1/R > | 2.171471 | < 1/R**2 > | 19.422499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90715934 |
| 2 | 1s | 16.607298 | .09138254 |
| 3 | 2s | 6.094744 | .01901923 |
| 4 | 3s | 7.737223 | -.02089807 |
| 5 | 4s | 9.891054 | .01071970 |
| 6 | 5s | 28.744543 | .00103212 |
| 7 | 4s | 67.735528 | -.00004210 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130494 | < R2 > | .022911 | < 1/R > | 11.603268 | < 1/R**2 > | 272.036195 |
Total Energy= -196.12448267 a.u.
Kinetic Energy= 196.12117636 a.u.
Potential Energy= -392.24565903 a.u.
Virial Ratio = -2.00001686