(1s 2 2s 2 5s 1 ) 2 S B 0
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 | 4.554095 | .02163485 |
| 2 | 2s | 1.156400 | -.11273025 |
| 3 | 3s | .502783 | .66686817 |
| 4 | 4s | .308526 | -1.92493577 |
| 5 | 5s | .251305 | 1.99620100 |
| 6 | 5s | 5.407572 | -.00315519 |
| 7 | 4s | 2.963700 | -.01712044 |
| ORB.ENERGY,a.u. | -.029564 | ||
| NORM | 1.000012 | < R > | 25.461015 | < R2 > | 726.279704 | < 1/R > | .053828 | < 1/R**2 > | .022749 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.596357 | .23489099 |
| 2 | 2s | 1.353240 | -.76266281 |
| 3 | 3s | 2.153016 | -.23718773 |
| 4 | 4s | 8.417197 | .00633119 |
| 5 | 5s | 4.430181 | -.03833190 |
| 6 | 3s | 10.813315 | .00074014 |
| 7 | 3s | .930916 | .00202668 |
| ORB.ENERGY,a.u. | -.792850 | ||
| NORM | 1.000000 | < R > | 1.798697 | < R2 > | 3.828092 | < 1/R > | .779985 | < 1/R**2 > | 2.412807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.210737 | .73078705 |
| 2 | 1s | 7.023337 | .22096348 |
| 3 | 2s | 5.660644 | .07583742 |
| 4 | 3s | 5.067842 | -.01369790 |
| 5 | 4s | 8.886029 | .00382584 |
| 6 | 5s | 20.273477 | -.00001477 |
| 7 | 3s | 14.546648 | -.00046762 |
| ORB.ENERGY,a.u. | -7.926000 |
| NORM | 1.000000 | < R > | .325273 | < R2 > | .142688 | < 1/R > | 4.679140 | < 1/R**2 > | 44.604592 |
Total Energy= -24.26713727 a.u.
Kinetic Energy= 24.26714036 a.u.
Potential Energy= -48.53427763 a.u.
Virial Ratio = -1.99999987