(1s 2 2s 2 2p 5 4d 1 ) 1 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | .870319 | 1.31875191 |
| 2 | 4d | .753077 | -1.82770690 |
| 3 | 3d | 3.704992 | .02628304 |
| 4 | 4d | 2.254796 | .02803056 |
| 5 | 5d | 6.004026 | -.00341018 |
| 6 | 4d | 21.440733 | .00003322 |
| ORB.ENERGY,a.u. | -.288480 | ||
| NORM | 1.000000 | < R > | 6.761181 | < R2 > | 52.536617 | < 1/R > | .198985 | < 1/R**2 > | .067486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.337422 | 1.35076066 |
| 2 | 3p | 4.004358 | -.44811648 |
| 3 | 2p | 8.633107 | .09321731 |
| 4 | 4p | 10.017234 | .02138482 |
| 5 | 3p | 17.228947 | .00007628 |
| 6 | 5p | 2.285720 | .01772835 |
| 7 | 4p | 1.990324 | -.01888363 |
| 8 | 5p | 31.671274 | -.00010337 |
| ORB.ENERGY,a.u. | -3.716700 | ||
| NORM | 1.000000 | < R > | .640190 | < R2 > | .513425 | < 1/R > | 2.054028 | < 1/R**2 > | 5.965054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891438 | .33580949 |
| 2 | 2s | 4.636266 | -.82508184 |
| 3 | 3s | 3.825975 | -.30267310 |
| 4 | 4s | 15.739209 | .00594921 |
| 5 | 3s | 14.470634 | .00637399 |
| 6 | 5s | 33.299720 | .00022137 |
| 7 | 5s | 2.761574 | -.00113159 |
| 8 | 4s | 3.088494 | .00215393 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669213 | < R2 > | .533291 | < 1/R > | 2.171241 | < 1/R**2 > | 19.419155 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716118 |
| 2 | 1s | 16.607703 | .09138048 |
| 3 | 2s | 6.095457 | .01901441 |
| 4 | 3s | 7.738153 | -.02089516 |
| 5 | 4s | 9.892147 | .01071723 |
| 6 | 5s | 28.776034 | .00103360 |
| 7 | 4s | 67.705244 | -.00004112 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130493 | < R2 > | .022910 | < 1/R > | 11.603313 | < 1/R**2 > | 272.037831 |
Total Energy= -196.23037762 a.u.
Kinetic Energy= 196.22896394 a.u.
Potential Energy= -392.45934156 a.u.
Virial Ratio = -2.00000720