(1s 2 2s 2 2p 2 5d 1 ) 4 F O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .510607 | 1.57457410 |
| 2 | 4d | .464540 | -3.51769002 |
| 3 | 5d | .391618 | 2.75831473 |
| 4 | 3d | 2.064272 | .03368036 |
| 5 | 4d | .308095 | -.19612631 |
| 6 | 5d | 1.678971 | .02685795 |
| 7 | 4d | 5.039105 | .00165998 |
| 8 | 5d | 13.958187 | .00010879 |
| 9 | 4d | 23.861357 | .00001864 |
| ORB.ENERGY,a.u. | -.082832 | ||
| NORM | 1.000015 | < R > | 16.542518 | < R2 > | 311.751097 | < 1/R > | .086401 | < 1/R**2 > | .016779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.280741 | .77848498 |
| 2 | 2p | 3.872499 | .23383482 |
| 3 | 2p | 8.162635 | .01349099 |
| 4 | 3p | 1.446563 | .02240750 |
| 5 | 4p | 1.216959 | -.00960251 |
| 6 | 5p | 17.169762 | -.00082137 |
| 7 | 5p | 1.179134 | .00290171 |
| 8 | 4p | 25.146775 | -.00014017 |
| ORB.ENERGY,a.u. | -1.899900 | ||
| NORM | 1.000000 | < R > | .985408 | < R2 > | 1.202100 | < 1/R > | 1.318239 | < 1/R**2 > | 2.431540 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679350 | .31147811 |
| 2 | 2s | 2.924604 | -.84320376 |
| 3 | 3s | 2.524826 | -.26501026 |
| 4 | 4s | 9.695537 | .01845969 |
| 5 | 3s | 11.253616 | .00702158 |
| 6 | 5s | 2.693318 | -.00641481 |
| 7 | 5s | 19.705187 | .00062697 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034018 | < R2 > | 1.268728 | < 1/R > | 1.388276 | < 1/R**2 > | 7.842653 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339975 | .73695983 |
| 2 | 1s | 10.790443 | .19547512 |
| 3 | 1s | 2.213468 | .00409331 |
| 4 | 2s | 7.734132 | .09950793 |
| 5 | 3s | 8.868651 | -.02277027 |
| 6 | 4s | 15.077706 | .00462802 |
| 7 | 5s | 3.857680 | -.00081383 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198213 | < R2 > | .052885 | < 1/R > | 7.650539 | < 1/R**2 > | 118.575078 |
Total Energy= -73.18214120 a.u.
Kinetic Energy= 73.18303216 a.u.
Potential Energy= -146.36517336 a.u.
Virial Ratio = -1.99998783