(1s 1 3d 1 ) 3 D F 7+
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 | 2.692018 | .96893426 |
| 2 | 4d | 2.674439 | .03275918 |
| 3 | 5d | 7.592601 | .00042199 |
| 4 | 3d | 9.794924 | .00064655 |
| ORB.ENERGY,a.u. | -3.601500 | ||
| NORM | 1.000000 | < R > | 1.311345 | < R2 > | 1.965643 | < 1/R > | .889966 | < 1/R**2 > | .951067 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.855244 | .75719920 |
| 2 | 1s | 9.102369 | .25653500 |
| 3 | 2s | 8.984034 | -.01550499 |
| 4 | 3s | 9.315476 | -.00041429 |
| 5 | 4s | 6.573305 | .00016126 |
| ORB.ENERGY,a.u. | -39.602000 |
| NORM | 1.000000 | < R > | .166693 | < R2 > | .037053 | < 1/R > | 8.999230 | < 1/R**2 > | 161.979552 |
Total Energy= -44.06913771 a.u.
Kinetic Energy= 44.05725523 a.u.
Potential Energy= -88.12639294 a.u.
Virial Ratio = -2.00026971