(1s 2 2s 2 4s 1 ) 2 S O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 6.826584 | .08508132 |
| 2 | 2s | 1.654770 | -.87976331 |
| 3 | 3s | 1.380326 | 2.22768882 |
| 4 | 4s | 1.116330 | -2.05731398 |
| 5 | 5s | 2.979537 | .07735663 |
| 6 | 4s | 6.023655 | -.03102873 |
| 7 | 5s | 17.807548 | .00034725 |
| ORB.ENERGY,a.u. | -.618500 | ||
| NORM | .999998 | < R > | 4.881051 | < R2 > | 26.739023 | < 1/R > | .288585 | < 1/R**2 > | .638149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.054146 | .31873713 |
| 2 | 2s | 2.782353 | -.76084880 |
| 3 | 3s | 4.105917 | -.29377360 |
| 4 | 4s | 10.883990 | .00992727 |
| 5 | 5s | 3.760002 | -.02793865 |
| 6 | 3s | 10.959725 | .00605489 |
| 7 | 4s | 2.743470 | .00786333 |
| 8 | 5s | .996852 | .00037336 |
| 9 | 5s | 47.360418 | -.00002742 |
| ORB.ENERGY,a.u. | -3.808500 | ||
| NORM | 1.000000 | < R > | .936994 | < R2 > | 1.028851 | < 1/R > | 1.536817 | < 1/R**2 > | 9.514854 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.339996 | .73222435 |
| 2 | 1s | 10.647108 | .20417652 |
| 3 | 2s | 7.613138 | .09899280 |
| 4 | 3s | 8.483886 | -.02363965 |
| 5 | 4s | 15.212257 | .00451376 |
| 6 | 5s | 9.542210 | -.00163298 |
| ORB.ENERGY,a.u. | -24.479000 |
| NORM | 1.000000 | < R > | .197216 | < R2 > | .052227 | < 1/R > | 7.674217 | < 1/R**2 > | 119.133463 |
Total Energy= -68.87595050 a.u.
Kinetic Energy= 68.87594855 a.u.
Potential Energy= -137.75189904 a.u.
Virial Ratio = -2.00000003