(1s 1 2p 1 ) 3 P Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 6.085965 | .98378290 |
| 2 | 2p | 12.302832 | .01353432 |
| 3 | 3p | 5.848969 | .00953401 |
| 4 | 4p | 7.325509 | -.00225684 |
| 5 | 5p | 24.388602 | -.00053866 |
| ORB.ENERGY,a.u. | -18.471000 | ||
| NORM | 1.000000 | < R > | .409251 | < R2 > | .201462 | < 1/R > | 3.065140 | < 1/R**2 > | 12.593350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.714512 | .91725869 |
| 2 | 1s | 16.354727 | .07786882 |
| 3 | 2s | 14.898593 | .01098075 |
| 4 | 3s | 16.299029 | -.00484681 |
| 5 | 4s | 35.631579 | .00005736 |
| 6 | 5s | 11.365505 | .00067462 |
| ORB.ENERGY,a.u. | -81.846000 |
| NORM | 1.000000 | < R > | .115925 | < R2 > | .017949 | < 1/R > | 12.958993 | < 1/R**2 > | 336.306446 |
Total Energy= -102.66385416 a.u.
Kinetic Energy= 102.76017228 a.u.
Potential Energy= -205.42402644 a.u.
Virial Ratio = -1.99906269