(1s 1 4d 1 ) 3 D S 14+
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 | 3.922395 | 1.81505186 |
| 2 | 4d | 3.739488 | -2.32086746 |
| 3 | 3d | 14.332290 | .00059759 |
| 4 | 4d | 3.035176 | .00226533 |
| 5 | 5d | 22.279344 | -.00017391 |
| ORB.ENERGY,a.u. | -7.474100 | ||
| NORM | .999999 | < R > | 1.399402 | < R2 > | 2.238254 | < 1/R > | .938193 | < 1/R**2 > | 1.409444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.765003 | .88940611 |
| 2 | 1s | 18.406445 | .10543049 |
| 3 | 2s | 16.647122 | .01065585 |
| 4 | 3s | 16.853047 | -.00513763 |
| 5 | 4s | 27.463800 | .00002120 |
| 6 | 5s | 16.746536 | .00001382 |
| ORB.ENERGY,a.u. | -127.470000 |
| NORM | 1.000000 | < R > | .093755 | < R2 > | .011721 | < 1/R > | 15.999483 | < 1/R**2 > | 511.975409 |
Total Energy= -135.04605822 a.u.
Kinetic Energy= 135.03339213 a.u.
Potential Energy= -270.07945035 a.u.
Virial Ratio = -2.00009380