(1s 2 2s 1 ) 2 S Al 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 11.191913 | .38708775 |
| 2 | 2s | 5.405077 | -.66776888 |
| 3 | 3s | 6.779611 | -.41119898 |
| 4 | 5s | 12.614655 | -.02182858 |
| 5 | 4s | 25.795964 | .00190244 |
| 6 | 5s | 39.464984 | -.00022626 |
| 7 | 5s | 3.367587 | .00011426 |
| ORB.ENERGY,a.u. | -16.239000 | ||
| NORM | 1.000000 | < R > | .511434 | < R2 > | .305011 | < 1/R > | 2.875870 | < 1/R**2 > | 33.349308 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.417206 | .93590878 |
| 2 | 1s | 19.639476 | .05380128 |
| 3 | 2s | 14.364335 | .01596284 |
| 4 | 3s | 7.765480 | .00121175 |
| 5 | 4s | 21.168112 | -.00121754 |
| 6 | 5s | 29.603501 | .00057414 |
| 7 | 3s | 35.215322 | -.00045813 |
| ORB.ENERGY,a.u. | -74.084000 |
| NORM | 1.000000 | < R > | .118987 | < R2 > | .018961 | < 1/R > | 12.675518 | < 1/R**2 > | 323.556804 |
Total Energy= -177.18653569 a.u.
Kinetic Energy= 177.18653467 a.u.
Potential Energy= -354.37307036 a.u.
Virial Ratio = -2.00000001