(1s 2 2s 1 5s 1 ) 3 S C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5.106974 | .05702921 |
| 2 | 2s | .688336 | -2.57795964 |
| 3 | 3s | .965972 | 3.72449361 |
| 4 | 4s | .684453 | -3.97068714 |
| 5 | 5s | .638141 | 3.81954413 |
| 6 | 4s | 3.722013 | -.03512873 |
| 7 | 5s | 11.762370 | .00128239 |
| 8 | 4s | .426984 | -.16412271 |
| 9 | 3s | .157649 | .06078183 |
| 10 | 4s | 17.367939 | .00020254 |
| 11 | 5s | .205848 | -.04343780 |
| ORB.ENERGY,a.u. | -.210340 | ||
| NORM | .999993 | < R > | 10.731116 | < R2 > | 128.785904 | < 1/R > | .132282 | < 1/R**2 > | .162569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.073160 | .32721204 |
| 2 | 2s | 2.183336 | -.86342866 |
| 3 | 3s | 2.632840 | -.22803883 |
| 4 | 4s | 6.179053 | .03572615 |
| 5 | 3s | 7.481248 | .01927317 |
| 6 | 5s | 5.295102 | -.00799158 |
| 7 | 4s | 2.187325 | -.01349059 |
| 8 | 5s | 12.189840 | .00156903 |
| 9 | 2s | 32.359206 | .00001541 |
| ORB.ENERGY,a.u. | -2.235500 | ||
| NORM | 1.000000 | < R > | 1.279995 | < R2 > | 1.912530 | < 1/R > | 1.117363 | < 1/R**2 > | 5.027995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.279592 | .88524201 |
| 2 | 1s | 8.631821 | .12348193 |
| 3 | 2s | 4.374801 | .02055042 |
| 4 | 3s | 6.342916 | -.02390092 |
| 5 | 4s | 10.879956 | .00490885 |
| 6 | 5s | 6.275818 | -.00506348 |
| 7 | 5s | 37.075478 | -.00005147 |
| 8 | 5s | 2.972748 | .00038044 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .267363 | < R2 > | .096244 | < 1/R > | 5.678954 | < 1/R**2 > | 65.493652 |
Total Energy= -34.93477084 a.u.
Kinetic Energy= 34.93636041 a.u.
Potential Energy= -69.87113125 a.u.
Virial Ratio = -1.99995450