(1s 2 2s 1 3s 1 ) 1 S O 4+
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 | 5.611152 | .07873472 |
| 2 | 2s | 2.429435 | -.46643499 |
| 3 | 3s | 1.755329 | 1.47472294 |
| 4 | 4s | 3.527097 | -.18060414 |
| 5 | 5s | 5.735945 | -.01276526 |
| 6 | 4s | 13.393547 | .00212535 |
| 7 | 5s | 1.835403 | -.07596137 |
| 8 | 5s | 39.435197 | .00004252 |
| ORB.ENERGY,a.u. | -1.664000 | ||
| NORM | 1.000000 | < R > | 2.316787 | < R2 > | 5.858307 | < 1/R > | .486618 | < 1/R**2 > | .497396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.486817 | .33671811 |
| 2 | 2s | 2.926808 | -.42593391 |
| 3 | 3s | 4.003859 | -.70481536 |
| 4 | 4s | 2.058626 | .27529550 |
| 5 | 5s | 8.595494 | -.02206736 |
| 6 | 4s | 30.958901 | -.00080475 |
| 7 | 3s | 17.910382 | .00101518 |
| 8 | 5s | 1.188116 | .00397827 |
| 9 | 5s | 41.786501 | .00027945 |
| 10 | 4s | .939644 | -.00274498 |
| ORB.ENERGY,a.u. | -4.576700 | ||
| NORM | 1.000000 | < R > | .855423 | < R2 > | .926922 | < 1/R > | 1.754674 | < 1/R**2 > | 12.394001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.220341 | .87813676 |
| 2 | 1s | 11.148343 | .12418706 |
| 3 | 2s | 5.909293 | .02483764 |
| 4 | 3s | 7.464730 | -.02727940 |
| 5 | 4s | 14.551798 | .00384780 |
| 6 | 5s | 10.301467 | .00119589 |
| 7 | 5s | 3.233296 | .00048802 |
| 8 | 5s | 48.848140 | -.00004705 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197229 | < R2 > | .052255 | < 1/R > | 7.675322 | < 1/R**2 > | 119.175541 |
Total Energy= -65.84927407 a.u.
Kinetic Energy= 65.84108348 a.u.
Potential Energy= -131.69035756 a.u.
Virial Ratio = -2.00012440