(1s 2 2s 2 2p 2 5d 1 ) 2 F O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | .479007 | 1.94882565 |
| 2 | 4d | .440901 | -4.38133342 |
| 3 | 5d | .389148 | 3.29007170 |
| 4 | 3d | 2.761528 | .00687590 |
| 5 | 4d | .308875 | -.19776056 |
| 6 | 5d | 2.060581 | .00597632 |
| 7 | 4d | 12.420341 | .00002091 |
| ORB.ENERGY,a.u. | -.080701 | ||
| NORM | 1.000011 | < R > | 17.069320 | < R2 > | 330.858828 | < 1/R > | .081626 | < 1/R**2 > | .013792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.278455 | .82718541 |
| 2 | 2p | 4.066304 | .20757146 |
| 3 | 2p | 9.021840 | .00899162 |
| 4 | 3p | 1.760875 | .03077971 |
| 5 | 4p | 2.793242 | -.03375053 |
| 6 | 5p | 18.500601 | -.00026860 |
| 7 | 5p | 1.852991 | -.00441762 |
| 8 | 4p | 72.302346 | .00000205 |
| ORB.ENERGY,a.u. | -1.897800 | ||
| NORM | 1.000000 | < R > | .984404 | < R2 > | 1.199149 | < 1/R > | 1.319131 | < 1/R**2 > | 2.434191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679890 | .31144789 |
| 2 | 2s | 2.924186 | -.84316809 |
| 3 | 3s | 2.525386 | -.26500133 |
| 4 | 4s | 9.701395 | .01843281 |
| 5 | 3s | 11.257096 | .00700380 |
| 6 | 5s | 2.694428 | -.00630396 |
| 7 | 5s | 19.729020 | .00062249 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.033957 | < R2 > | 1.268529 | < 1/R > | 1.388321 | < 1/R**2 > | 7.843035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339997 | .73695393 |
| 2 | 1s | 10.790452 | .19547157 |
| 3 | 1s | 2.219646 | .00409967 |
| 4 | 2s | 7.733984 | .09951072 |
| 5 | 3s | 8.869131 | -.02277336 |
| 6 | 4s | 15.077837 | .00462938 |
| 7 | 5s | 3.860499 | -.00080819 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198214 | < R2 > | .052886 | < 1/R > | 7.650503 | < 1/R**2 > | 118.574207 |
Total Energy= -73.18215666 a.u.
Kinetic Energy= 73.18089607 a.u.
Potential Energy= -146.36305273 a.u.
Virial Ratio = -2.00001723