(1s 2 4d 1 ) 2 D Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 3.923469 | 1.81311533 |
| 2 | 4d | 3.739196 | -2.31839148 |
| 3 | 3d | 20.817961 | .00028642 |
| 4 | 4d | 13.294182 | .00031957 |
| 5 | 5d | 3.338674 | .00186330 |
| ORB.ENERGY,a.u. | -7.038100 | ||
| NORM | 1.000000 | < R > | 1.399335 | < R2 > | 2.238061 | < 1/R > | .938290 | < 1/R**2 > | 1.409962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.399348 | .93880857 |
| 2 | 1s | 25.823096 | .04858074 |
| 3 | 2s | 20.411604 | .01727984 |
| 4 | 3s | 14.887244 | .00039109 |
| 5 | 4s | 57.197142 | -.00062616 |
| 6 | 5s | 70.686518 | .00020823 |
| 7 | 3s | 97.505719 | -.00002621 |
| ORB.ENERGY,a.u. | -133.450000 |
| NORM | 1.000000 | < R > | .090232 | < R2 > | .010887 | < 1/R > | 16.687211 | < 1/R**2 > | 559.701693 |
Total Energy= -285.52601591 a.u.
Kinetic Energy= 285.51968239 a.u.
Potential Energy= -571.04569830 a.u.
Virial Ratio = -2.00002218