(1s 2 2s 2 2p 3 3d 1 ) 5 D Mg 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 1.819255 | 1.12674077 |
| 2 | 3d | 4.619783 | .05013925 |
| 3 | 4d | 2.292551 | -.16721103 |
| 4 | 5d | 6.445312 | -.00192618 |
| 5 | 5d | 1.727846 | .02036665 |
| 6 | 4d | 28.891086 | .00003290 |
| ORB.ENERGY,a.u. | -1.476300 | ||
| NORM | 1.000000 | < R > | 1.894150 | < R2 > | 4.170057 | < 1/R > | .631844 | < 1/R**2 > | .498039 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.292228 | 1.40917238 |
| 2 | 3p | 5.657585 | -.51408881 |
| 3 | 4p | 7.166187 | .09663338 |
| 4 | 5p | 3.449656 | .02045016 |
| 5 | 4p | 18.513017 | -.00278066 |
| 6 | 3p | 23.003380 | -.00056850 |
| 7 | 5p | 2.919005 | -.00946009 |
| 8 | 3p | 1.834608 | .00311623 |
| ORB.ENERGY,a.u. | -6.201500 | ||
| NORM | 1.000000 | < R > | .572842 | < R2 > | .403533 | < 1/R > | 2.246670 | < 1/R**2 > | 6.972746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.734932 | .36540911 |
| 2 | 2s | 4.854843 | -.83919392 |
| 3 | 3s | 4.494368 | -.28093240 |
| 4 | 4s | 19.635890 | .00243078 |
| 5 | 3s | 11.569526 | .01766344 |
| 6 | 5s | 4.632021 | -.02105938 |
| 7 | 4s | 2.948963 | -.00162459 |
| ORB.ENERGY,a.u. | -6.256600 | ||
| NORM | 1.000000 | < R > | .630729 | < R2 > | .469711 | < 1/R > | 2.305298 | < 1/R**2 > | 21.719954 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.167935 | .91183695 |
| 2 | 1s | 17.087246 | .08750298 |
| 3 | 2s | 9.800489 | .01780069 |
| 4 | 3s | 13.870634 | -.01495579 |
| 5 | 4s | 22.026717 | .00341569 |
| 6 | 5s | 40.123476 | .00010243 |
| 7 | 5s | 8.160397 | .00074451 |
| ORB.ENERGY,a.u. | -52.023000 |
| NORM | 1.000000 | < R > | .130157 | < R2 > | .022763 | < 1/R > | 11.621582 | < 1/R**2 > | 272.691737 |
Total Energy= -188.31393858 a.u.
Kinetic Energy= 188.33687908 a.u.
Potential Energy= -376.65081766 a.u.
Virial Ratio = -1.99987819