(1s 2 2s 2 2p 5 3d 1 ) 1 P Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 1.008969 | .99650215 |
| 2 | 3d | 5.054002 | .00416821 |
| 3 | 4d | 4.043241 | -.00109412 |
| 4 | 5d | 10.993670 | -.00016147 |
| 5 | 5d | 1.000762 | .00422909 |
| ORB.ENERGY,a.u. | -.503650 | ||
| NORM | 1.000000 | < R > | 3.474427 | < R2 > | 13.803371 | < 1/R > | .336209 | < 1/R**2 > | .136151 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.349760 | 1.30321126 |
| 2 | 3p | 4.001684 | -.40896802 |
| 3 | 2p | 8.479937 | .10097660 |
| 4 | 4p | 9.765184 | .02273826 |
| 5 | 5p | 1.574347 | -.00525898 |
| 6 | 5p | 31.987555 | -.00013037 |
| 7 | 4p | 1.385189 | .00546650 |
| ORB.ENERGY,a.u. | -3.510800 | ||
| NORM | 1.000000 | < R > | .639669 | < R2 > | .512275 | < 1/R > | 2.054898 | < 1/R**2 > | 5.968735 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.892271 | .33571896 |
| 2 | 2s | 4.636318 | -.82460807 |
| 3 | 3s | 3.830521 | -.30223152 |
| 4 | 4s | 15.789735 | .00578723 |
| 5 | 3s | 14.380093 | .00649950 |
| 6 | 5s | 33.370305 | .00021753 |
| 7 | 5s | 2.589725 | -.00108879 |
| 8 | 4s | 2.888929 | .00102170 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669338 | < R2 > | .533534 | < 1/R > | 2.170911 | < 1/R**2 > | 19.413963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90715912 |
| 2 | 1s | 16.607298 | .09138252 |
| 3 | 2s | 6.094745 | .01901974 |
| 4 | 3s | 7.737279 | -.02089742 |
| 5 | 4s | 9.891124 | .01071943 |
| 6 | 5s | 28.743086 | .00103198 |
| 7 | 4s | 67.732405 | -.00004213 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130494 | < R2 > | .022911 | < 1/R > | 11.603264 | < 1/R**2 > | 272.036064 |
Total Energy= -196.45358433 a.u.
Kinetic Energy= 196.44411463 a.u.
Potential Energy= -392.89769896 a.u.
Virial Ratio = -2.00004821