(1s 1 3d 1 ) 3 D P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 4.669244 | 1.00203900 |
| 2 | 3d | 17.222527 | .00034835 |
| 3 | 4d | 6.116404 | -.00213487 |
| ORB.ENERGY,a.u. | -11.235000 | ||
| NORM | 1.000000 | < R > | .749545 | < R2 > | .642156 | < 1/R > | 1.556843 | < 1/R**2 > | 2.909756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.759809 | .88938722 |
| 2 | 1s | 17.406918 | .10546028 |
| 3 | 2s | 16.022100 | .01066135 |
| 4 | 3s | 15.895569 | -.00513005 |
| 5 | 4s | 30.059324 | .00001683 |
| 6 | 5s | 10.796577 | .00004771 |
| ORB.ENERGY,a.u. | -111.240000 |
| NORM | 1.000000 | < R > | .100012 | < R2 > | .013338 | < 1/R > | 14.999037 | < 1/R**2 > | 449.957330 |
Total Energy= -123.41509906 a.u.
Kinetic Energy= 123.39248576 a.u.
Potential Energy= -246.80758482 a.u.
Virial Ratio = -2.00018326