(1s 2 2s 2 2p 2 4d 1 ) 2 F Mg 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 1.740731 | 1.31535366 |
| 2 | 4d | 1.494178 | -1.82511868 |
| 3 | 3d | 4.117272 | .04456500 |
| 4 | 5d | 6.062385 | -.01219139 |
| 5 | 5d | 1.304432 | .00997859 |
| 6 | 4d | 12.142994 | .00044244 |
| 7 | 3d | 16.351331 | .00013578 |
| ORB.ENERGY,a.u. | -1.148500 | ||
| NORM | .999999 | < R > | 3.405917 | < R2 > | 13.307104 | < 1/R > | .391378 | < 1/R**2 > | .254025 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.332220 | 1.19864099 |
| 2 | 3p | 5.180228 | -.22474589 |
| 3 | 2p | 11.720575 | .02183249 |
| 4 | 4p | 13.557348 | .00887183 |
| 5 | 5p | 19.398525 | -.00180503 |
| 6 | 5p | 2.590589 | .00069265 |
| 7 | 4p | 52.285567 | .00004028 |
| ORB.ENERGY,a.u. | -7.819300 | ||
| NORM | 1.000000 | < R > | .544786 | < R2 > | .362095 | < 1/R > | 2.342428 | < 1/R**2 > | 7.511917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.771959 | .37575072 |
| 2 | 2s | 4.912087 | -.82937633 |
| 3 | 3s | 5.081564 | -.27029066 |
| 4 | 4s | 19.217562 | .00267523 |
| 5 | 3s | 11.924079 | .01604582 |
| 6 | 5s | 5.038278 | -.04071719 |
| ORB.ENERGY,a.u. | -7.296200 | ||
| NORM | 1.000000 | < R > | .610605 | < R2 > | .438301 | < 1/R > | 2.383422 | < 1/R**2 > | 23.110568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.156628 | .91173793 |
| 2 | 1s | 17.176478 | .08816894 |
| 3 | 2s | 10.301625 | .01904773 |
| 4 | 3s | 13.084114 | -.01555819 |
| 5 | 5s | 28.488470 | .00121223 |
| 6 | 4s | 69.229470 | -.00003979 |
| 7 | 5s | 8.926396 | .00063855 |
| ORB.ENERGY,a.u. | -53.739000 |
| NORM | 1.000000 | < R > | .129916 | < R2 > | .022659 | < 1/R > | 11.635009 | < 1/R**2 > | 273.175895 |
Total Energy= -181.16765068 a.u.
Kinetic Energy= 181.14825523 a.u.
Potential Energy= -362.31590591 a.u.
Virial Ratio = -2.00010707