(1s 1 3d 1 ) 1 D S 14+
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 | 4.999203 | 1.00013451 |
| 2 | 3d | 12.144481 | -.00026355 |
| 3 | 4d | 52.049311 | .00001958 |
| ORB.ENERGY,a.u. | -12.942000 | ||
| NORM | 1.000000 | < R > | .700190 | < R2 > | .560278 | < 1/R > | 1.666087 | < 1/R**2 > | 3.330616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.765773 | .88939281 |
| 2 | 1s | 18.406670 | .10542782 |
| 3 | 2s | 16.838471 | .01040167 |
| 4 | 3s | 16.306006 | -.00526441 |
| 5 | 4s | 18.389666 | .00016165 |
| 6 | 5s | 19.835432 | .00026622 |
| ORB.ENERGY,a.u. | -126.720000 |
| NORM | 1.000000 | < R > | .093746 | < R2 > | .011717 | < 1/R > | 16.000421 | < 1/R**2 > | 512.020123 |
Total Energy= -140.52812549 a.u.
Kinetic Energy= 140.49805924 a.u.
Potential Energy= -281.02618473 a.u.
Virial Ratio = -2.00021400