(1s 2 2s 2 3d 1 ) 2 D Mg 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 2.735163 | .95470153 |
| 2 | 3d | 4.585123 | .07804098 |
| 3 | 4d | 5.466242 | -.02439792 |
| 4 | 5d | 17.198515 | -.00044040 |
| 5 | 4d | 2.326806 | .00364169 |
| ORB.ENERGY,a.u. | -3.663100 | ||
| NORM | 1.000000 | < R > | 1.253389 | < R2 > | 1.806575 | < 1/R > | .938866 | < 1/R**2 > | 1.070564 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.285225 | .36916838 |
| 2 | 2s | 4.614833 | -.78921594 |
| 3 | 3s | 6.196788 | -.28060497 |
| 4 | 5s | 11.766052 | -.02137887 |
| 5 | 4s | 24.311563 | .00260304 |
| 6 | 5s | 36.184772 | -.00042542 |
| 7 | 4s | 2.874872 | .00008697 |
| ORB.ENERGY,a.u. | -10.966000 | ||
| NORM | 1.000000 | < R > | .578075 | < R2 > | .391026 | < 1/R > | 2.527172 | < 1/R**2 > | 25.768479 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.264585 | .93285564 |
| 2 | 1s | 18.105844 | .06615513 |
| 3 | 2s | 11.392452 | .01993271 |
| 4 | 3s | 13.213947 | -.01677693 |
| 5 | 5s | 26.639551 | .00114927 |
| 6 | 4s | 59.238112 | -.00008637 |
| ORB.ENERGY,a.u. | -59.428000 |
| NORM | 1.000000 | < R > | .129274 | < R2 > | .022387 | < 1/R > | 11.671941 | < 1/R**2 > | 274.521100 |
Total Energy= -165.63604913 a.u.
Kinetic Energy= 165.62908043 a.u.
Potential Energy= -331.26512956 a.u.
Virial Ratio = -2.00004207