(1s 2 2s 2 2p 5 5d 1 ) 1 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | .754593 | 1.58930506 |
| 2 | 4d | .644427 | -4.58380925 |
| 3 | 5d | .601677 | 3.66653312 |
| 4 | 3d | 1.845150 | .05515530 |
| 5 | 5d | 2.818842 | -.01466086 |
| 6 | 4d | 5.706594 | .00549645 |
| 7 | 5d | 10.312289 | .00025445 |
| 8 | 3d | 7.802515 | .00138205 |
| ORB.ENERGY,a.u. | -.184000 | ||
| NORM | 1.000004 | < R > | 11.196389 | < R2 > | 142.623425 | < 1/R > | .126256 | < 1/R**2 > | .034619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.345175 | 1.34766412 |
| 2 | 3p | 4.017674 | -.44406311 |
| 3 | 2p | 8.652160 | .09229254 |
| 4 | 4p | 10.025926 | .02143946 |
| 5 | 3p | 15.833237 | .00012992 |
| 6 | 5p | 2.323657 | .01648835 |
| 7 | 4p | 2.028066 | -.01762272 |
| 8 | 5p | 31.588788 | -.00010644 |
| ORB.ENERGY,a.u. | -3.805800 | ||
| NORM | 1.000000 | < R > | .640027 | < R2 > | .513081 | < 1/R > | 2.054320 | < 1/R**2 > | 5.966310 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891527 | .33583256 |
| 2 | 2s | 4.637022 | -.82478288 |
| 3 | 3s | 3.826600 | -.30319924 |
| 4 | 4s | 15.649026 | .00648244 |
| 5 | 3s | 14.824984 | .00586028 |
| 6 | 5s | 33.241735 | .00022498 |
| 7 | 5s | 2.760864 | -.00110639 |
| 8 | 4s | 3.088215 | .00246657 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669124 | < R2 > | .533109 | < 1/R > | 2.171445 | < 1/R**2 > | 19.422192 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716044 |
| 2 | 1s | 16.607500 | .09138154 |
| 3 | 2s | 6.095315 | .01901595 |
| 4 | 3s | 7.737914 | -.02089577 |
| 5 | 4s | 9.891635 | .01071812 |
| 6 | 5s | 28.759689 | .00103285 |
| 7 | 4s | 67.723891 | -.00004162 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603293 | < 1/R**2 > | 272.037119 |
Total Energy= -196.12538563 a.u.
Kinetic Energy= 196.12446709 a.u.
Potential Energy= -392.24985272 a.u.
Virial Ratio = -2.00000468