(1s 1 5d 1 ) 3 D F 7+
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 | 1.599462 | 3.55246996 |
| 2 | 4d | 1.600200 | -8.86404318 |
| 3 | 5d | 1.600603 | 6.00617847 |
| 4 | 3d | 9.312106 | .00046256 |
| 5 | 5d | 6.695174 | .00062182 |
| ORB.ENERGY,a.u. | -1.324400 | ||
| NORM | .999999 | < R > | 4.310220 | < R2 > | 21.072725 | < 1/R > | .320323 | < 1/R**2 > | .205557 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.855352 | .75723487 |
| 2 | 1s | 9.102258 | .25654082 |
| 3 | 2s | 8.924809 | -.01575486 |
| 4 | 3s | 10.184556 | -.00014438 |
| ORB.ENERGY,a.u. | -40.204000 |
| NORM | 1.000000 | < R > | .166674 | < R2 > | .037041 | < 1/R > | 8.999771 | < 1/R**2 > | 161.993903 |
Total Energy= -41.78419567 a.u.
Kinetic Energy= 41.78053191 a.u.
Potential Energy= -83.56472758 a.u.
Virial Ratio = -2.00008769