(1s 2 2s 2 5d 1 ) 2 D B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 4d | .208021 | -4.50575306 |
| 2 | 5d | .198608 | 3.91697393 |
| 3 | 3d | .294997 | 1.05787626 |
| 4 | 5d | .343698 | .30724465 |
| 5 | 5d | 2.303703 | -.00061452 |
| 6 | 3d | 1.372311 | .00827312 |
| ORB.ENERGY,a.u. | -.020196 | ||
| NORM | 1.000022 | < R > | 34.082829 | < R2 > | 1319.834389 | < 1/R > | .041017 | < 1/R**2 > | .003519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.300512 | .25955578 |
| 2 | 2s | 1.631273 | -.83798543 |
| 3 | 3s | 1.628449 | -.20987229 |
| 4 | 4s | 5.422496 | .02109874 |
| 5 | 3s | 5.811199 | .02380381 |
| 6 | 5s | 1.634516 | -.05047690 |
| 7 | 5s | 22.408718 | -.00011009 |
| 8 | 3s | 64.687666 | .00000395 |
| ORB.ENERGY,a.u. | -.800000 | ||
| NORM | 1.000000 | < R > | 1.798660 | < R2 > | 3.827950 | < 1/R > | .780006 | < 1/R**2 > | 2.412947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.210544 | .73072225 |
| 2 | 1s | 7.022809 | .22104595 |
| 3 | 2s | 5.660386 | .07583624 |
| 4 | 3s | 5.063349 | -.01369859 |
| 5 | 4s | 8.892778 | .00380522 |
| 6 | 5s | 20.093461 | -.00001401 |
| 7 | 3s | 14.509020 | -.00047274 |
| ORB.ENERGY,a.u. | -7.936900 |
| NORM | 1.000000 | < R > | .325270 | < R2 > | .142685 | < 1/R > | 4.679174 | < 1/R**2 > | 44.605137 |
Total Energy= -24.25803596 a.u.
Kinetic Energy= 24.25776759 a.u.
Potential Energy= -48.51580355 a.u.
Virial Ratio = -2.00001106