(1s 2 2s 1 5s 1 ) 3 S S 12+
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 | 8.931875 | .15586437 |
| 2 | 2s | 2.276010 | -5.94825362 |
| 3 | 3s | 3.176642 | 9.03134265 |
| 4 | 4s | 2.707224 | -9.10213162 |
| 5 | 5s | 2.652225 | 7.06542651 |
| 6 | 5s | 12.111260 | .00100166 |
| 7 | 1s | 21.137508 | .00526412 |
| 8 | 4s | 52.842335 | -.00005877 |
| ORB.ENERGY,a.u. | -3.543400 | ||
| NORM | .999997 | < R > | 2.759814 | < R2 > | 8.525128 | < 1/R > | .533967 | < 1/R**2 > | 2.828635 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.023043 | .43277173 |
| 2 | 2s | 6.979856 | -.81335789 |
| 3 | 3s | 8.290019 | -.30433178 |
| 4 | 5s | 14.233110 | -.02173633 |
| 5 | 4s | 28.076077 | .00568492 |
| 6 | 5s | 37.064217 | -.00139689 |
| 7 | 4s | 94.128834 | .00001986 |
| ORB.ENERGY,a.u. | -25.512000 | ||
| NORM | 1.000000 | < R > | .407150 | < R2 > | .193334 | < 1/R > | 3.627731 | < 1/R**2 > | 53.024029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.408896 | .93896460 |
| 2 | 1s | 24.336188 | .04851879 |
| 3 | 2s | 18.797715 | .01669317 |
| 4 | 3s | 11.176635 | .00153666 |
| 5 | 4s | 64.556608 | -.00042456 |
| 6 | 5s | 86.230962 | .00015402 |
| 7 | 5s | 3.406619 | .00019151 |
| 8 | 4s | 1.850343 | -.00020250 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096126 | < R2 > | .012365 | < 1/R > | 15.674064 | < 1/R**2 > | 494.108602 |
Total Energy= -275.52186670 a.u.
Kinetic Energy= 275.52905965 a.u.
Potential Energy= -551.05092635 a.u.
Virial Ratio = -1.99997389