(1s 2 2s 2 2p 3 3s 1 ) 3 S Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3s- electron | |
| 1 | 1s | 10.326143 | .11439575 |
| 2 | 2s | 3.307718 | -.58871447 |
| 3 | 3s | 2.094644 | 1.25652065 |
| 4 | 4s | 9.071727 | -.02691773 |
| 5 | 5s | 15.648638 | -.00330977 |
| 6 | 2s | 23.538602 | .00026669 |
| 7 | 4s | 34.340303 | .00003582 |
| ORB.ENERGY,a.u. | -2.051200 | ||
| NORM | 1.000000 | < R > | 1.875441 | < R2 > | 3.948937 | < 1/R > | .705055 | < 1/R**2 > | 2.707643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.264486 | 1.42837170 |
| 2 | 3p | 5.541766 | -.54815236 |
| 3 | 4p | 6.856556 | .11288335 |
| 4 | 5p | 21.770810 | -.00270841 |
| 5 | 4p | 2.791036 | .01321661 |
| 6 | 4p | 30.618268 | -.00089023 |
| 7 | 5p | 2.642315 | -.00801643 |
| 8 | 3p | 1.763111 | .00298991 |
| 9 | 5p | 98.793392 | -.00001527 |
| ORB.ENERGY,a.u. | -6.147800 | ||
| NORM | 1.000000 | < R > | .571806 | < R2 > | .401254 | < 1/R > | 2.247574 | < 1/R**2 > | 6.972755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.683006 | .32055864 |
| 2 | 2s | 3.997552 | -.77061578 |
| 3 | 3s | 6.856429 | -.26511950 |
| 4 | 4s | 19.046411 | .00375489 |
| 5 | 3s | 2.057932 | .02179199 |
| 6 | 5s | 6.400468 | -.04992266 |
| 7 | 2s | 24.552236 | -.00031741 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .623595 | < R2 > | .456904 | < 1/R > | 2.326390 | < 1/R**2 > | 22.068010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.222360 | .92686398 |
| 2 | 1s | 17.739700 | .07172741 |
| 3 | 2s | 10.587037 | .01724456 |
| 4 | 3s | 14.911804 | -.01376588 |
| 5 | 4s | 23.217164 | .00313139 |
| 6 | 5s | 2.845716 | -.00101232 |
| 7 | 5s | 9.606638 | .00176293 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130200 | < R2 > | .022784 | < 1/R > | 11.619264 | < 1/R**2 > | 272.606221 |
Total Energy= -188.94508483 a.u.
Kinetic Energy= 188.90890379 a.u.
Potential Energy= -377.85398862 a.u.
Virial Ratio = -2.00019153