(1s 1 4d 1 ) 1 D He 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | .275939 | 1.49053094 |
| 2 | 4d | .253584 | -2.40887657 |
| 3 | 4d | .379114 | .12933156 |
| 4 | 5d | .319350 | .34748217 |
| 5 | 5d | 11.417765 | .00000295 |
| 6 | 5d | 2.998901 | -.00012186 |
| 7 | 5d | .213201 | -.02286291 |
| ORB.ENERGY,a.u. | -.031351 | ||
| NORM | .999988 | < R > | 21.004980 | < R2 > | 504.220605 | < 1/R > | .062469 | < 1/R**2 > | .006240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.944935 | .75980669 |
| 2 | 1s | 2.096935 | .25276329 |
| 3 | 2s | 1.918178 | -.01328640 |
| 4 | 3s | 2.049585 | -.00135363 |
| ORB.ENERGY,a.u. | -1.906400 |
| NORM | 1.000000 | < R > | .749991 | < R2 > | .749976 | < 1/R > | 2.000013 | < 1/R**2 > | 8.000072 |
Total Energy= -2.03171037 a.u.
Kinetic Energy= 2.03124477 a.u.
Potential Energy= -4.06295514 a.u.
Virial Ratio = -2.00022922