(1s 2 2s 2 2p 1 4d 1 ) 3 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 2.961573 | 1.23385117 |
| 2 | 4d | 2.478826 | -1.74417735 |
| 3 | 3d | 6.586869 | .03151767 |
| 4 | 4d | 22.794189 | .00030223 |
| 5 | 5d | 2.004139 | .02123859 |
| 6 | 3d | 1.427886 | -.01130144 |
| 7 | 5d | 14.303556 | .00184114 |
| 8 | 3d | 31.636742 | .00003541 |
| ORB.ENERGY,a.u. | -3.197100 | ||
| NORM | 1.000000 | < R > | 2.041205 | < R2 > | 4.773032 | < 1/R > | .650420 | < 1/R**2 > | .696715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.146782 | 1.08812188 |
| 2 | 3p | 7.607130 | -.10351739 |
| 3 | 2p | 14.566018 | .01544296 |
| 4 | 5p | 17.324783 | .00337578 |
| 5 | 4p | 32.431895 | -.00028386 |
| 6 | 5p | 5.358416 | .00503927 |
| 7 | 5p | 107.302844 | -.00000348 |
| 8 | 4p | 4.366693 | -.00420662 |
| ORB.ENERGY,a.u. | -16.954000 | ||
| NORM | 1.000000 | < R > | .397236 | < R2 > | .191039 | < 1/R > | 3.182984 | < 1/R**2 > | 13.715599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.944999 | .37272991 |
| 2 | 2s | 5.665166 | -.80836734 |
| 3 | 3s | 8.197094 | -.28189438 |
| 4 | 4s | 28.068747 | .00131909 |
| 5 | 5s | 16.035817 | -.01081432 |
| 6 | 5s | 6.225829 | .01606462 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456899 | < R2 > | .244301 | < 1/R > | 3.209352 | < 1/R**2 > | 41.664248 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.165862 | .93089962 |
| 2 | 1s | 21.881677 | .06870076 |
| 3 | 2s | 13.032778 | .01920005 |
| 4 | 3s | 16.056285 | -.01653244 |
| 5 | 4s | 74.169514 | -.00006359 |
| 6 | 5s | 34.553553 | .00079517 |
| 7 | 5s | 9.027045 | .00007141 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102968 | < R2 > | .014203 | < 1/R > | 14.648387 | < 1/R**2 > | 432.016571 |
Total Energy= -279.30639697 a.u.
Kinetic Energy= 279.29227656 a.u.
Potential Energy= -558.59867353 a.u.
Virial Ratio = -2.00005056