(1s 2 2s 2 2p 3 5s 1 ) 5 S F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 8.495998 | .02777866 |
| 2 | 2s | 2.619986 | -.13278032 |
| 3 | 3s | 1.018092 | .65049422 |
| 4 | 4s | .631887 | -1.83585918 |
| 5 | 5s | .504834 | 1.91165824 |
| 6 | 5s | 7.991393 | -.00803778 |
| 7 | 4s | 18.146665 | .00046156 |
| 8 | 2s | 10.052808 | .00284494 |
| ORB.ENERGY,a.u. | -.119570 | ||
| NORM | 1.000007 | < R > | 12.592966 | < R2 > | 177.728401 | < 1/R > | .111403 | < 1/R**2 > | .123518 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.508628 | .74264726 |
| 2 | 2p | 4.222156 | .26664589 |
| 3 | 2p | 8.769325 | .01840735 |
| 4 | 3p | 1.367730 | -.00270748 |
| 5 | 4p | 2.185333 | .02068513 |
| 6 | 5p | 11.107634 | .00322667 |
| 7 | 5p | 3.053108 | -.00072209 |
| ORB.ENERGY,a.u. | -2.168600 | ||
| NORM | 1.000000 | < R > | .878721 | < R2 > | .960801 | < 1/R > | 1.486337 | < 1/R**2 > | 3.107045 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.533018 | .31233557 |
| 2 | 2s | 3.323071 | -.83562272 |
| 3 | 3s | 2.752573 | -.28257277 |
| 4 | 4s | 10.495762 | .00484155 |
| 5 | 3s | 10.154893 | .01794543 |
| 6 | 5s | .872299 | .03037056 |
| 7 | 4s | .761137 | -.03100224 |
| 8 | 2s | 29.570597 | .00008935 |
| 9 | 3s | .345440 | -.02931229 |
| 10 | 2s | .288533 | .02724082 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .921640 | < R2 > | 1.015084 | < 1/R > | 1.564709 | < 1/R**2 > | 10.019488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.104202 | .85261462 |
| 2 | 1s | 11.769679 | .15353360 |
| 3 | 2s | 7.424219 | -.00542906 |
| 4 | 3s | 5.698896 | .00404359 |
| 5 | 4s | 17.281128 | .00385004 |
| 6 | 5s | 67.074707 | -.00000569 |
| 7 | 5s | 2.992911 | .00014426 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175511 | < R2 > | .041466 | < 1/R > | 8.636971 | < 1/R**2 > | 151.004993 |
Total Energy= -97.72705096 a.u.
Kinetic Energy= 97.72849293 a.u.
Potential Energy= -195.45554389 a.u.
Virial Ratio = -1.99998525