(1s 2 2s 2 3s 1 ) 2 S O 3+
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 | 6.741295 | .14275321 |
| 2 | 2s | 2.130845 | -.80911604 |
| 3 | 3s | 1.605805 | 1.42985130 |
| 4 | 4s | 4.919780 | -.05827155 |
| 5 | 5s | 8.629302 | -.01217424 |
| 6 | 5s | 1.604476 | .02236390 |
| 7 | 4s | 35.558022 | -.00007823 |
| 8 | 3s | 65.087181 | -.00001084 |
| ORB.ENERGY,a.u. | -1.198100 | ||
| NORM | 1.000000 | < R > | 2.547128 | < R2 > | 7.328140 | < 1/R > | .544141 | < 1/R**2 > | 1.721400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.085901 | .31589495 |
| 2 | 2s | 2.760083 | -.75390383 |
| 3 | 3s | 4.122606 | -.29866595 |
| 4 | 4s | 11.040540 | .01087535 |
| 5 | 5s | 3.879952 | -.01953439 |
| 6 | 3s | 11.892167 | .00472624 |
| 7 | 5s | 1.864903 | -.00218663 |
| 8 | 3s | 68.062422 | .00000788 |
| ORB.ENERGY,a.u. | -3.605600 | ||
| NORM | 1.000000 | < R > | .939792 | < R2 > | 1.036354 | < 1/R > | 1.533130 | < 1/R**2 > | 9.475324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.353757 | .73120674 |
| 2 | 1s | 10.646928 | .20352405 |
| 3 | 2s | 7.673887 | .09854920 |
| 4 | 3s | 8.478410 | -.02363774 |
| 5 | 4s | 14.839952 | .00645647 |
| 6 | 5s | 18.474084 | -.00071187 |
| ORB.ENERGY,a.u. | -23.881000 |
| NORM | 1.000000 | < R > | .197243 | < R2 > | .052243 | < 1/R > | 7.673487 | < 1/R**2 > | 119.114529 |
Total Energy= -69.45514390 a.u.
Kinetic Energy= 69.45514445 a.u.
Potential Energy= -138.91028835 a.u.
Virial Ratio = -1.99999999