(1s 1 3d 1 ) 1 D N 5+
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 | 2.042973 | .93545927 |
| 2 | 4d | 1.961596 | .07576131 |
| 3 | 4d | 4.222354 | -.00229071 |
| 4 | 5d | 1.844802 | -.00466695 |
| 5 | 5d | 11.347398 | -.00034002 |
| ORB.ENERGY,a.u. | -2.015600 | ||
| NORM | 1.000000 | < R > | 1.750862 | < R2 > | 3.503116 | < 1/R > | .666234 | < 1/R**2 > | .532504 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.880857 | .75766857 |
| 2 | 1s | 7.102270 | .25599868 |
| 3 | 2s | 6.929026 | -.01556194 |
| 4 | 3s | 5.959366 | -.00029350 |
| ORB.ENERGY,a.u. | -23.793000 |
| NORM | 1.000000 | < R > | .214269 | < R2 > | .061212 | < 1/R > | 7.000292 | < 1/R**2 > | 98.006075 |
Total Energy= -26.50938903 a.u.
Kinetic Energy= 26.49944807 a.u.
Potential Energy= -53.00883709 a.u.
Virial Ratio = -2.00037514