(1s 2 2s 2 ) 1 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 7.335810 | .37287853 |
| 2 | 2s | 3.590652 | -.86828972 |
| 3 | 3s | 3.919513 | -.24569842 |
| 4 | 4s | 18.859207 | .00894198 |
| 5 | 4s | 10.855519 | .02350184 |
| 6 | 5s | 3.733749 | -.01807132 |
| 7 | 5s | 24.585297 | -.00289278 |
| 8 | 4s | 62.615061 | .00004740 |
| ORB.ENERGY,a.u. | -5.660300 | ||
| NORM | 1.000000 | < R > | .808463 | < R2 > | .764951 | < 1/R > | 1.789585 | < 1/R**2 > | 12.908738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.164311 | .86997406 |
| 2 | 1s | 12.389101 | .13002969 |
| 3 | 2s | 6.998321 | .02975623 |
| 4 | 3s | 8.917957 | -.02811649 |
| 5 | 4s | 16.714070 | .00412371 |
| 6 | 5s | 8.430455 | -.00226873 |
| 7 | 5s | 64.848881 | -.00001594 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174308 | < R2 > | .040765 | < 1/R > | 8.673760 | < 1/R**2 > | 151.989086 |
Total Energy= -87.93405143 a.u.
Kinetic Energy= 87.93405265 a.u.
Potential Energy= -175.86810408 a.u.
Virial Ratio = -1.99999999