(1s 2 2s 2 2p 5 3d 1 ) 3 F Mg 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 1.028514 | .94962191 |
| 2 | 3d | 2.129331 | .22992007 |
| 3 | 4d | 2.599547 | -.14422147 |
| 4 | 5d | 4.883759 | -.01355859 |
| 5 | 4d | 12.694582 | .00041198 |
| 6 | 4d | 32.942190 | .00002361 |
| 7 | 5d | .700737 | .00048743 |
| ORB.ENERGY,a.u. | -.517490 | ||
| NORM | 1.000000 | < R > | 3.291487 | < R2 > | 12.531159 | < 1/R > | .362111 | < 1/R**2 > | .163875 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.359203 | 1.33234866 |
| 2 | 3p | 4.030984 | -.43078831 |
| 3 | 2p | 8.642528 | .09253486 |
| 4 | 3p | 19.460994 | .00005987 |
| 5 | 5p | 2.502972 | .00292416 |
| 6 | 4p | 10.026761 | .02135521 |
| 7 | 5p | 32.377512 | -.00009320 |
| ORB.ENERGY,a.u. | -3.524600 | ||
| NORM | 1.000000 | < R > | .640825 | < R2 > | .514777 | < 1/R > | 2.052900 | < 1/R**2 > | 5.960180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.891337 | .33576139 |
| 2 | 2s | 4.637166 | -.82459231 |
| 3 | 3s | 3.832128 | -.30180726 |
| 4 | 4s | 15.831863 | .00561902 |
| 5 | 3s | 14.268049 | .00668908 |
| 6 | 5s | 33.419656 | .00021447 |
| 7 | 5s | 2.489504 | -.00080451 |
| ORB.ENERGY,a.u. | -4.396500 | ||
| NORM | 1.000000 | < R > | .669417 | < R2 > | .533723 | < 1/R > | 2.170822 | < 1/R**2 > | 19.413223 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.193432 | .90716361 |
| 2 | 1s | 16.608514 | .09137627 |
| 3 | 2s | 6.098030 | .01900582 |
| 4 | 3s | 7.740827 | -.02088764 |
| 5 | 4s | 9.894143 | .01071239 |
| 6 | 5s | 28.829464 | .00103620 |
| 7 | 4s | 67.655949 | -.00003935 |
| ORB.ENERGY,a.u. | -49.033000 |
| NORM | 1.000000 | < R > | .130492 | < R2 > | .022910 | < 1/R > | 11.603385 | < 1/R**2 > | 272.040519 |
Total Energy= -196.45654339 a.u.
Kinetic Energy= 196.45796337 a.u.
Potential Energy= -392.91450676 a.u.
Virial Ratio = -1.99999277