(1s 2 2s 2 2p 2 5d 1 ) 2 D O +
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 | 3d | .402237 | 3.45395323 |
| 2 | 4d | .400002 | -8.29934270 |
| 3 | 5d | .395196 | 5.93462383 |
| 4 | 3d | 3.556838 | .00245284 |
| 5 | 4d | .329840 | -.38700027 |
| 6 | 5d | 4.398240 | .00085098 |
| 7 | 4d | 1.284048 | -.00877892 |
| 8 | 5d | .250567 | .00594200 |
| ORB.ENERGY,a.u. | -.079414 | ||
| NORM | 1.000007 | < R > | 17.368811 | < R2 > | 342.352581 | < 1/R > | .079720 | < 1/R**2 > | .012855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.276483 | .82973104 |
| 2 | 2p | 4.067612 | .20734749 |
| 3 | 2p | 9.021460 | .00899094 |
| 4 | 3p | 1.699109 | .02890229 |
| 5 | 4p | 2.799167 | -.03351406 |
| 6 | 5p | 18.494475 | -.00026993 |
| 7 | 5p | 1.834052 | -.00552075 |
| 8 | 4p | 72.480415 | .00000207 |
| ORB.ENERGY,a.u. | -1.896500 | ||
| NORM | 1.000000 | < R > | .984131 | < R2 > | 1.198388 | < 1/R > | 1.319399 | < 1/R**2 > | 2.435018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.680066 | .31143697 |
| 2 | 2s | 2.924035 | -.84315328 |
| 3 | 3s | 2.525474 | -.26501594 |
| 4 | 4s | 9.703790 | .01841571 |
| 5 | 3s | 11.255038 | .00700180 |
| 6 | 5s | 2.694607 | -.00624601 |
| 7 | 5s | 19.747040 | .00061963 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.033940 | < R2 > | 1.268471 | < 1/R > | 1.388332 | < 1/R**2 > | 7.843112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340006 | .73695099 |
| 2 | 1s | 10.790295 | .19547575 |
| 3 | 1s | 2.220151 | .00409967 |
| 4 | 2s | 7.733734 | .09950923 |
| 5 | 3s | 8.869102 | -.02277379 |
| 6 | 4s | 15.077933 | .00463011 |
| 7 | 5s | 3.860325 | -.00080753 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198215 | < R2 > | .052887 | < 1/R > | 7.650491 | < 1/R**2 > | 118.573923 |
Total Energy= -73.18192041 a.u.
Kinetic Energy= 73.17960790 a.u.
Potential Energy= -146.36152831 a.u.
Virial Ratio = -2.00003160