(1s 2 2s 2 2p 1 4d 1 ) 1 F N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | .460566 | 2.77653675 |
| 2 | 4d | .492486 | -3.33880003 |
| 3 | 3d | 3.425113 | .00347054 |
| 4 | 5d | 1.879901 | -.00485192 |
| 5 | 4d | 7.431083 | -.00061426 |
| 6 | 5d | 10.611892 | .00021642 |
| ORB.ENERGY,a.u. | -.124180 | ||
| NORM | .999998 | < R > | 10.567654 | < R2 > | 127.667010 | < 1/R > | .124378 | < 1/R**2 > | .024883 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.073272 | .81997510 |
| 2 | 2p | 3.453847 | .18270529 |
| 3 | 2p | 7.364676 | .01216434 |
| 4 | 3p | .893685 | .02338708 |
| 5 | 4p | 2.312392 | .01350828 |
| 6 | 4p | 11.483967 | -.00133043 |
| 7 | 5p | 1.226582 | -.01797837 |
| 8 | 3p | 14.798635 | -.00013897 |
| ORB.ENERGY,a.u. | -1.567800 | ||
| NORM | 1.000000 | < R > | 1.118072 | < R2 > | 1.536018 | < 1/R > | 1.152887 | < 1/R**2 > | 1.846327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427043 | .26761107 |
| 2 | 2s | 2.001574 | -.76122626 |
| 3 | 3s | 3.460749 | -.27618525 |
| 4 | 4s | 13.148695 | .00228703 |
| 5 | 5s | 7.043722 | -.02348825 |
| 6 | 5s | 2.261462 | .03151104 |
| 7 | 4s | 28.676301 | .00003473 |
| 8 | 4s | 1.858177 | -.00957646 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179700 | < R2 > | 1.645446 | < 1/R > | 1.210650 | < 1/R**2 > | 5.922948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.269660 | .00613415 |
| 2 | 1s | 6.254551 | .70945671 |
| 3 | 1s | 9.331881 | .22644384 |
| 4 | 2s | 7.139380 | .08427737 |
| 5 | 3s | 7.704188 | -.01452601 |
| 6 | 4s | 12.792709 | .00522663 |
| 7 | 5s | 22.120484 | .00018764 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227668 | < R2 > | .069770 | < 1/R > | 6.663917 | < 1/R**2 > | 90.056476 |
Total Energy= -52.94400658 a.u.
Kinetic Energy= 52.93997361 a.u.
Potential Energy= -105.88398020 a.u.
Virial Ratio = -2.00007618