(1s 2 3s 1 ) 2 S O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 6.356472 | .20818866 |
| 2 | 2s | 2.234912 | -1.26718397 |
| 3 | 3s | 2.014078 | 1.99576761 |
| 4 | 4s | 4.119444 | -.19353828 |
| 5 | 5s | 7.278539 | -.03088668 |
| 6 | 4s | 14.921200 | .00199603 |
| 7 | 5s | 1.976925 | -.05411831 |
| 8 | 5s | 45.395942 | .00002793 |
| 9 | 4s | 1.443598 | .00614713 |
| ORB.ENERGY,a.u. | -2.158300 | ||
| NORM | 1.000000 | < R > | 2.090138 | < R2 > | 4.961487 | < 1/R > | .699876 | < 1/R**2 > | 2.949709 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.362718 | .73000020 |
| 2 | 1s | 10.611052 | .20548266 |
| 3 | 2s | 7.648553 | .09884141 |
| 4 | 3s | 8.585703 | -.02280854 |
| 5 | 4s | 14.641234 | .00580863 |
| 6 | 5s | 17.471349 | -.00066279 |
| 7 | 5s | 8.838783 | -.00243105 |
| 8 | 5s | 2.362845 | -.00010259 |
| ORB.ENERGY,a.u. | -26.445000 |
| NORM | 1.000000 | < R > | .196839 | < R2 > | .051995 | < 1/R > | 7.685213 | < 1/R**2 > | 119.424482 |
Total Energy= -61.26811116 a.u.
Kinetic Energy= 61.26811316 a.u.
Potential Energy= -122.53622431 a.u.
Virial Ratio = -1.99999997