(1s 2 2s 2 2p 4 5d 1 ) 2 D S 7+
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 | 2.074032 | 1.47497765 |
| 2 | 4d | 1.615392 | -5.52614306 |
| 3 | 5d | 1.602702 | 4.83244074 |
| 4 | 3d | 5.486581 | .03265311 |
| 5 | 5d | 8.241371 | -.00995307 |
| 6 | 4d | 17.173901 | .00041894 |
| 7 | 5d | 1.292027 | -.02239913 |
| 8 | 3d | 23.432180 | .00008788 |
| ORB.ENERGY,a.u. | -1.300100 | ||
| NORM | 1.000003 | < R > | 4.233266 | < R2 > | 20.366069 | < 1/R > | .330657 | < 1/R**2 > | .228519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.551729 | 1.15725584 |
| 2 | 3p | 6.379828 | -.23340153 |
| 3 | 2p | 12.021244 | .07583622 |
| 4 | 4p | 14.013554 | .01345623 |
| 5 | 5p | 40.888123 | -.00012670 |
| 6 | 5p | 6.329884 | -.00684724 |
| 7 | 4p | 3.275064 | .00021112 |
| ORB.ENERGY,a.u. | -13.487000 | ||
| NORM | 1.000000 | < R > | .404657 | < R2 > | .200537 | < 1/R > | 3.166620 | < 1/R**2 > | 13.780636 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.752002 | .39704185 |
| 2 | 2s | 6.773857 | -.85138241 |
| 3 | 3s | 6.224335 | -.29971949 |
| 4 | 4s | 17.042502 | .00640582 |
| 5 | 3s | 18.908489 | .00753769 |
| 6 | 5s | 33.012032 | .00073562 |
| 7 | 5s | 5.415817 | -.00332248 |
| 8 | 4s | 4.074909 | .00103804 |
| 9 | 3s | 54.421138 | -.00005327 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452504 | < R2 > | .241040 | < 1/R > | 3.233042 | < 1/R**2 > | 42.713594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164776 | .91812104 |
| 2 | 1s | 22.011397 | .07851637 |
| 3 | 2s | 9.673648 | .01987558 |
| 4 | 3s | 11.853320 | -.01990264 |
| 5 | 4s | 14.424827 | .00893504 |
| 6 | 5s | 38.908913 | .00082982 |
| 7 | 4s | 94.599471 | -.00002793 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593529 | < 1/R**2 > | 490.121694 |
Total Energy= -366.58473724 a.u.
Kinetic Energy= 366.56194853 a.u.
Potential Energy= -733.14668577 a.u.
Virial Ratio = -2.00006217