(1s 2 2s 2 4s 1 ) 2 S Cl 12+
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 | 12.501362 | .15606073 |
| 2 | 2s | 3.719701 | -2.01316961 |
| 3 | 3s | 3.545512 | 5.03711975 |
| 4 | 4s | 3.400481 | -3.85894457 |
| 5 | 5s | 6.342659 | .11544124 |
| 6 | 4s | 11.935277 | -.02443815 |
| 7 | 5s | 34.638069 | .00079347 |
| 8 | 4s | 46.844739 | .00014310 |
| 9 | 5s | 3.179263 | .00955410 |
| ORB.ENERGY,a.u. | -5.737500 | ||
| NORM | 1.000000 | < R > | 1.708191 | < R2 > | 3.278345 | < 1/R > | .855684 | < 1/R**2 > | 5.831530 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.099345 | .41312385 |
| 2 | 2s | 7.098457 | -.81684264 |
| 3 | 3s | 9.017997 | -.29201534 |
| 4 | 5s | 16.605617 | -.01265626 |
| 5 | 4s | 32.050484 | .00304308 |
| 6 | 5s | 44.958812 | -.00054043 |
| 7 | 5s | 4.496649 | .00042990 |
| 8 | 4s | 2.344679 | .00010654 |
| ORB.ENERGY,a.u. | -26.814000 | ||
| NORM | 1.000000 | < R > | .388462 | < R2 > | .176224 | < 1/R > | 3.791409 | < 1/R**2 > | 57.887640 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.139956 | .93886829 |
| 2 | 1s | 25.708163 | .05959607 |
| 3 | 2s | 17.737705 | .01968307 |
| 4 | 3s | 19.523436 | -.01670099 |
| 5 | 5s | 38.586885 | .00088128 |
| 6 | 4s | 86.666712 | -.00005418 |
| 7 | 5s | 18.723306 | -.00033886 |
| ORB.ENERGY,a.u. | -127.290000 |
| NORM | 1.000000 | < R > | .090360 | < R2 > | .010923 | < 1/R > | 16.669440 | < 1/R**2 > | 558.686179 |
Total Energy= -341.07998369 a.u.
Kinetic Energy= 341.07999467 a.u.
Potential Energy= -682.15997836 a.u.
Virial Ratio = -1.99999997