(1s 1 3d 1 ) 1 D Cl 15+
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 | 5.332528 | 1.00012863 |
| 2 | 3d | 12.908708 | -.00025075 |
| 3 | 4d | 55.294001 | .00001868 |
| ORB.ENERGY,a.u. | -14.786000 | ||
| NORM | 1.000000 | < R > | .656419 | < R2 > | .492419 | < 1/R > | 1.777191 | < 1/R**2 > | 3.789661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.770546 | .88941387 |
| 2 | 1s | 19.406860 | .10539704 |
| 3 | 2s | 17.438629 | .01044769 |
| 4 | 3s | 17.288743 | -.00527852 |
| 5 | 4s | 19.123053 | .00015345 |
| 6 | 5s | 21.010214 | .00024968 |
| ORB.ENERGY,a.u. | -143.230000 |
| NORM | 1.000000 | < R > | .088231 | < R2 > | .010379 | < 1/R > | 17.000438 | < 1/R**2 > | 578.022231 |
Total Energy= -158.75252928 a.u.
Kinetic Energy= 158.72024340 a.u.
Potential Energy= -317.47277268 a.u.
Virial Ratio = -2.00020341