(1s 1 3d 1 ) 1 D C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 1.701276 | .93834523 |
| 2 | 4d | 3.531616 | -.00247654 |
| 3 | 5d | 1.520095 | -.00444849 |
| 4 | 4d | 1.630886 | .07264892 |
| 5 | 5d | 9.617502 | -.00037121 |
| ORB.ENERGY,a.u. | -1.397200 | ||
| NORM | 1.000000 | < R > | 2.101121 | < R2 > | 5.044857 | < 1/R > | .555163 | < 1/R**2 > | .369738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.893147 | .75794014 |
| 2 | 1s | 6.102258 | .25569029 |
| 3 | 2s | 5.937321 | -.01544328 |
| 4 | 3s | 5.265046 | -.00037842 |
| ORB.ENERGY,a.u. | -17.397000 |
| NORM | 1.000000 | < R > | .249980 | < R2 > | .083315 | < 1/R > | 6.000258 | < 1/R**2 > | 72.004606 |
Total Energy= -19.39632173 a.u.
Kinetic Energy= 19.38847465 a.u.
Potential Energy= -38.78479637 a.u.
Virial Ratio = -2.00040473