(1s 2 3d 1 ) 2 D Mg 9+
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 | 3.334791 | .99958400 |
| 2 | 3d | 9.165205 | .00222771 |
| 3 | 4d | 11.692765 | -.00132537 |
| ORB.ENERGY,a.u. | -5.559400 | ||
| NORM | 1.000000 | < R > | 1.049163 | < R2 > | 1.258191 | < 1/R > | 1.112339 | < 1/R**2 > | 1.485706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.447137 | .93656409 |
| 2 | 1s | 18.875909 | .05056332 |
| 3 | 2s | 14.946515 | .01695243 |
| 4 | 3s | 11.852264 | .00265122 |
| 5 | 4s | 38.939551 | -.00108323 |
| 6 | 5s | 48.079462 | .00039124 |
| 7 | 3s | 68.991086 | -.00003977 |
| ORB.ENERGY,a.u. | -63.540000 |
| NORM | 1.000000 | < R > | .129051 | < R2 > | .022298 | < 1/R > | 11.687067 | < 1/R**2 > | 275.127572 |
Total Energy= -142.17747932 a.u.
Kinetic Energy= 142.16903020 a.u.
Potential Energy= -284.34650952 a.u.
Virial Ratio = -2.00005943