(1s 1 5d 1 ) 3 D P 13+
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 | 2.799660 | 3.55280505 |
| 2 | 4d | 2.800201 | -8.86839665 |
| 3 | 5d | 2.801191 | 6.00725091 |
| 4 | 3d | 11.941141 | .00070998 |
| 5 | 5d | 19.514059 | -.00025116 |
| 6 | 4d | 2.083216 | .00346704 |
| ORB.ENERGY,a.u. | -4.260100 | ||
| NORM | 1.000000 | < R > | 2.463422 | < R2 > | 6.883264 | < 1/R > | .560381 | < 1/R**2 > | .628744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760350 | .88938007 |
| 2 | 1s | 17.406918 | .10545812 |
| 3 | 2s | 16.044759 | .01065967 |
| 4 | 3s | 15.766733 | -.00516248 |
| 5 | 4s | 18.794759 | .00001876 |
| 6 | 5s | 21.428753 | .00001999 |
| ORB.ENERGY,a.u. | -112.260000 |
| NORM | 1.000000 | < R > | .100003 | < R2 > | .013334 | < 1/R > | 14.999726 | < 1/R**2 > | 449.987775 |
Total Energy= -116.42807688 a.u.
Kinetic Energy= 116.42120001 a.u.
Potential Energy= -232.84927689 a.u.
Virial Ratio = -2.00005907