(1s 2 2s 2 2p 3 5d 1 ) 3 D O 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | .242897 | 1.81353269 |
| 2 | 4d | .201496 | -5.89773565 |
| 3 | 5d | .197867 | 4.97504301 |
| 4 | 3d | 2.576150 | .00108120 |
| 5 | 4d | .154849 | -.12866774 |
| 6 | 5d | 1.864308 | .00065575 |
| ORB.ENERGY,a.u. | -.020017 | ||
| NORM | 1.000002 | < R > | 34.462479 | < R2 > | 1347.219000 | < 1/R > | .040105 | < 1/R**2 > | .003239 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.019273 | .72078103 |
| 2 | 2p | 3.529736 | .28816708 |
| 3 | 2p | 7.592974 | .02038240 |
| 4 | 3p | 1.211621 | -.00446697 |
| 5 | 4p | 1.756401 | .03225533 |
| 6 | 5p | 9.674820 | .00386145 |
| ORB.ENERGY,a.u. | -1.209300 | ||
| NORM | 1.000000 | < R > | 1.077849 | < R2 > | 1.460120 | < 1/R > | 1.225694 | < 1/R**2 > | 2.140132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.734857 | .29209861 |
| 2 | 2s | 2.838021 | -.83222597 |
| 3 | 3s | 2.160858 | -.30092761 |
| 4 | 3s | 9.213074 | .01515837 |
| 5 | 4s | 9.515755 | .00782222 |
| 6 | 5s | 2.179971 | .03274213 |
| 7 | 5s | 36.765744 | -.00005325 |
| 8 | 4s | 1.593168 | -.01482193 |
| 9 | 3s | 1.043559 | .00286587 |
| 10 | 2s | 50.652679 | .00000670 |
| ORB.ENERGY,a.u. | -.991290 | ||
| NORM | 1.000000 | < R > | 1.089301 | < R2 > | 1.421309 | < 1/R > | 1.319810 | < 1/R**2 > | 7.126724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.132230 | .84495693 |
| 2 | 1s | 10.474377 | .16188798 |
| 3 | 2s | 6.263890 | -.00622139 |
| 4 | 3s | 4.020648 | .00206957 |
| 5 | 4s | 14.850962 | .00494890 |
| 6 | 5s | 8.123086 | .00205842 |
| 7 | 3s | 39.881272 | -.00003111 |
| ORB.ENERGY,a.u. | -19.982000 |
| NORM | 1.000000 | < R > | .198487 | < R2 > | .053072 | < 1/R > | 7.644327 | < 1/R**2 > | 118.430896 |
Total Energy= -74.39294157 a.u.
Kinetic Energy= 74.39262446 a.u.
Potential Energy= -148.78556603 a.u.
Virial Ratio = -2.00000426