(1s 2 2s 1 3s 1 ) 1 S Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 7.928713 | .20349973 |
| 2 | 2s | 5.631164 | -1.05293231 |
| 3 | 3s | 5.022742 | 1.84453807 |
| 4 | 4s | 9.380151 | -.12807854 |
| 5 | 5s | 23.397396 | -.00068364 |
| 6 | 4s | 31.755950 | .00045112 |
| 7 | 5s | 4.821669 | -.06804032 |
| 8 | 4s | 4.190867 | .04148162 |
| ORB.ENERGY,a.u. | -13.432000 | ||
| NORM | 1.000000 | < R > | .863302 | < R2 > | .810308 | < 1/R > | 1.308283 | < 1/R**2 > | 3.778767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.495357 | .44638525 |
| 2 | 2s | 8.837757 | -.53112471 |
| 3 | 3s | 9.375787 | -.72257933 |
| 4 | 4s | 5.584590 | .33608546 |
| 5 | 5s | 18.157644 | -.01807101 |
| 6 | 4s | 48.135944 | -.00096915 |
| 7 | 3s | 32.403268 | .00409566 |
| 8 | 2s | 77.837215 | .00009917 |
| 9 | 5s | 3.131710 | .00565196 |
| 10 | 3s | 2.424649 | -.00804760 |
| ORB.ENERGY,a.u. | -32.456000 | ||
| NORM | 1.000000 | < R > | .339449 | < R2 > | .146709 | < 1/R > | 4.554708 | < 1/R**2 > | 82.926920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.362116 | .93813185 |
| 2 | 1s | 27.342405 | .04910756 |
| 3 | 2s | 21.984369 | .01685790 |
| 4 | 3s | 12.158174 | .00131432 |
| 5 | 4s | 74.272398 | -.00037077 |
| 6 | 5s | 99.967674 | .00013468 |
| 7 | 5s | 7.309225 | .00019953 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085229 | < R2 > | .009718 | < 1/R > | 17.670923 | < 1/R**2 > | 627.669375 |
Total Energy= -359.85324012 a.u.
Kinetic Energy= 359.82873760 a.u.
Potential Energy= -719.68197773 a.u.
Virial Ratio = -2.00006809