(1s 2 2s 2 4s 1 ) 2 S Ar 13+
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 | 13.089461 | .16112754 |
| 2 | 2s | 3.877616 | -2.19063738 |
| 3 | 3s | 3.749125 | 5.52232841 |
| 4 | 4s | 3.655036 | -4.18026986 |
| 5 | 5s | 6.720195 | .11842898 |
| 6 | 4s | 12.533846 | -.02406094 |
| 7 | 5s | 36.533937 | .00079776 |
| 8 | 4s | 49.390515 | .00014843 |
| 9 | 5s | 3.394590 | .01107921 |
| ORB.ENERGY,a.u. | -6.622200 | ||
| NORM | 1.000000 | < R > | 1.594127 | < R2 > | 2.855339 | < 1/R > | .918367 | < 1/R**2 > | 6.722203 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.850650 | .41950394 |
| 2 | 2s | 7.601979 | -.82073685 |
| 3 | 3s | 9.526570 | -.29322204 |
| 4 | 5s | 17.564352 | -.01358805 |
| 5 | 4s | 35.075205 | .00246753 |
| 6 | 5s | 50.643943 | -.00041345 |
| 7 | 5s | 12.504493 | .00132097 |
| 8 | 4s | 3.295250 | .00037868 |
| ORB.ENERGY,a.u. | -30.636000 | ||
| NORM | 1.000000 | < R > | .364802 | < R2 > | .155396 | < 1/R > | 4.041613 | < 1/R**2 > | 65.763767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.083139 | .93399880 |
| 2 | 1s | 26.770950 | .06446866 |
| 3 | 2s | 18.896594 | .01964365 |
| 4 | 3s | 20.346068 | -.01689718 |
| 5 | 5s | 40.985344 | .00080602 |
| 6 | 4s | 91.447732 | -.00005174 |
| 7 | 5s | 18.539870 | -.00021122 |
| ORB.ENERGY,a.u. | -143.820000 |
| NORM | 1.000000 | < R > | .085227 | < R2 > | .009715 | < 1/R > | 17.669196 | < 1/R**2 > | 627.524646 |
Total Energy= -384.13868108 a.u.
Kinetic Energy= 384.13868366 a.u.
Potential Energy= -768.27736475 a.u.
Virial Ratio = -1.99999999