(1s 2 2s 2 5s 1 ) 2 S O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 6.759441 | .05977944 |
| 2 | 2s | 1.883255 | -.46585981 |
| 3 | 3s | 1.254049 | 2.00963374 |
| 4 | 4s | .915150 | -5.35879357 |
| 5 | 5s | .880291 | 4.45760037 |
| 6 | 5s | 8.934872 | -.00535955 |
| 7 | 4s | 4.931995 | -.02864768 |
| ORB.ENERGY,a.u. | -.377930 | ||
| NORM | 1.000004 | < R > | 7.962329 | < R2 > | 70.926782 | < 1/R > | .179159 | < 1/R**2 > | .306297 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 5s | 46.748605 | -.00003028 |
| 2 | 1s | 7.010750 | .32185887 |
| 3 | 2s | 2.839236 | -.75694042 |
| 4 | 3s | 4.030699 | -.29388629 |
| 5 | 4s | 10.825628 | .01152960 |
| 6 | 5s | 3.611451 | -.03607048 |
| 7 | 3s | 11.498365 | .00538405 |
| 8 | 4s | 2.476642 | .00873704 |
| 9 | 5s | 2.377000 | -.00235076 |
| ORB.ENERGY,a.u. | -3.905600 | ||
| NORM | 1.000000 | < R > | .936433 | < R2 > | 1.027444 | < 1/R > | 1.537616 | < 1/R**2 > | 9.523497 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340434 | .73222313 |
| 2 | 1s | 10.646397 | .20417846 |
| 3 | 2s | 7.612846 | .09898662 |
| 4 | 3s | 8.481177 | -.02363639 |
| 5 | 4s | 15.205303 | .00451156 |
| 6 | 5s | 9.529195 | -.00164176 |
| ORB.ENERGY,a.u. | -23.887000 |
| NORM | 1.000000 | < R > | .197209 | < R2 > | .052222 | < 1/R > | 7.674439 | < 1/R**2 > | 119.139221 |
Total Energy= -68.63551353 a.u.
Kinetic Energy= 68.63550740 a.u.
Potential Energy= -137.27102092 a.u.
Virial Ratio = -2.00000009