(1s 2 2s 2 2p 4 5d 1 ) 2 F S 7+
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 | 2.200407 | 1.20685805 |
| 2 | 4d | 1.627496 | -5.01946540 |
| 3 | 5d | 1.616263 | 4.57409235 |
| 4 | 3d | 5.316372 | .05775506 |
| 5 | 5d | 8.003604 | -.01362406 |
| 6 | 4d | 16.705711 | .00045843 |
| 7 | 5d | 1.288210 | -.02082066 |
| 8 | 3d | 23.369062 | .00009041 |
| ORB.ENERGY,a.u. | -1.318700 | ||
| NORM | .999998 | < R > | 4.167253 | < R2 > | 19.742579 | < 1/R > | .337718 | < 1/R**2 > | .244125 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.572601 | 1.14785894 |
| 2 | 3p | 6.351504 | -.22592401 |
| 3 | 2p | 12.076878 | .07468777 |
| 4 | 4p | 14.191164 | .01279755 |
| 5 | 5p | 39.790038 | -.00013155 |
| 6 | 5p | 5.347012 | -.00140883 |
| ORB.ENERGY,a.u. | -13.506000 | ||
| NORM | 1.000000 | < R > | .404791 | < R2 > | .200671 | < 1/R > | 3.165745 | < 1/R**2 > | 13.774024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.765095 | .39642123 |
| 2 | 2s | 6.773176 | -.85169236 |
| 3 | 3s | 6.211659 | -.29981995 |
| 4 | 4s | 17.510619 | .00724414 |
| 5 | 3s | 19.524951 | .00728567 |
| 6 | 5s | 34.700526 | .00059847 |
| 7 | 5s | 4.996039 | -.00245958 |
| 8 | 4s | 3.730727 | .00101715 |
| 9 | 2s | 88.167371 | .00000597 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452512 | < R2 > | .241049 | < 1/R > | 3.232969 | < 1/R**2 > | 42.711620 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812291 |
| 2 | 1s | 22.011654 | .07851561 |
| 3 | 2s | 9.675037 | .01987056 |
| 4 | 3s | 11.854873 | -.01989963 |
| 5 | 4s | 14.425306 | .00893383 |
| 6 | 5s | 38.927824 | .00083051 |
| 7 | 4s | 94.619856 | -.00002758 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593574 | < 1/R**2 > | 490.123938 |
Total Energy= -366.58616598 a.u.
Kinetic Energy= 366.58053943 a.u.
Potential Energy= -733.16670541 a.u.
Virial Ratio = -2.00001535