(1s 1 5d 1 ) 3 D S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | 2.999577 | 3.55293085 |
| 2 | 4d | 3.000201 | -8.86790575 |
| 3 | 5d | 3.001200 | 6.00696159 |
| 4 | 3d | 12.745806 | .00067434 |
| 5 | 5d | 20.836338 | -.00023783 |
| 6 | 4d | 2.223480 | .00312894 |
| ORB.ENERGY,a.u. | -4.940100 | ||
| NORM | 1.000000 | < R > | 2.299235 | < R2 > | 5.996288 | < 1/R > | .600386 | < 1/R**2 > | .721677 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.765195 | .88940263 |
| 2 | 1s | 18.406445 | .10543007 |
| 3 | 2s | 16.655626 | .01065579 |
| 4 | 3s | 16.807333 | -.00514845 |
| 5 | 4s | 23.869149 | .00002067 |
| 6 | 5s | 22.045593 | .00001350 |
| ORB.ENERGY,a.u. | -127.820000 |
| NORM | 1.000000 | < R > | .093753 | < R2 > | .011720 | < 1/R > | 15.999714 | < 1/R**2 > | 511.986356 |
Total Energy= -132.50869198 a.u.
Kinetic Energy= 132.50122427 a.u.
Potential Energy= -265.00991625 a.u.
Virial Ratio = -2.00005636