(1s 1 4d 1 ) 3 D F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 2.391761 | 1.20746018 |
| 2 | 4d | 1.958838 | -1.79110264 |
| 3 | 5d | 2.910648 | .13264049 |
| 4 | 4d | 6.490553 | -.00516013 |
| 5 | 5d | 1.381506 | .00221090 |
| 6 | 5d | 16.258778 | -.00010015 |
| 7 | 3d | 24.673355 | -.00000290 |
| ORB.ENERGY,a.u. | -2.045000 | ||
| NORM | 1.000000 | < R > | 2.623272 | < R2 > | 7.865555 | < 1/R > | .500577 | < 1/R**2 > | .401433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.855676 | .75719870 |
| 2 | 1s | 9.102258 | .25651918 |
| 3 | 2s | 8.914771 | -.01575658 |
| 4 | 3s | 8.526425 | -.00016415 |
| 5 | 4s | 7.904156 | .00013682 |
| ORB.ENERGY,a.u. | -40.014000 |
| NORM | 1.000000 | < R > | .166680 | < R2 > | .037045 | < 1/R > | 8.999590 | < 1/R**2 > | 161.989047 |
Total Energy= -42.50710332 a.u.
Kinetic Energy= 42.50094113 a.u.
Potential Energy= -85.00804445 a.u.
Virial Ratio = -2.00014499