(1s 2 2s 1 3s 1 ) 1 S Cl 13+
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 | 7.999999 | .18241990 |
| 2 | 2s | 5.393594 | -.95179941 |
| 3 | 3s | 4.682576 | 1.77029445 |
| 4 | 4s | 8.772064 | -.13734850 |
| 5 | 5s | 21.358166 | -.00057296 |
| 6 | 4s | 30.448630 | .00051328 |
| 7 | 5s | 4.474631 | -.06954508 |
| 8 | 4s | 3.873308 | .04187781 |
| ORB.ENERGY,a.u. | -11.749000 | ||
| NORM | 1.000000 | < R > | .920840 | < R2 > | .922054 | < 1/R > | 1.226432 | < 1/R**2 > | 3.314958 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.703292 | .44028750 |
| 2 | 2s | 8.234178 | -.52769272 |
| 3 | 3s | 8.843086 | -.71752203 |
| 4 | 4s | 5.223717 | .33318463 |
| 5 | 5s | 17.242689 | -.01795216 |
| 6 | 4s | 46.261334 | -.00085720 |
| 7 | 3s | 30.678817 | .00365136 |
| 8 | 2s | 76.131201 | .00007914 |
| 9 | 5s | 2.940497 | .00692398 |
| 10 | 3s | 2.287005 | -.01008996 |
| ORB.ENERGY,a.u. | -28.523000 | ||
| NORM | 1.000000 | < R > | .361198 | < R2 > | .166073 | < 1/R > | 4.274974 | < 1/R**2 > | 73.090568 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.394582 | .93908707 |
| 2 | 1s | 25.842696 | .04810095 |
| 3 | 2s | 20.263112 | .01678329 |
| 4 | 3s | 12.076551 | .00165185 |
| 5 | 4s | 69.853453 | -.00039062 |
| 6 | 5s | 93.838342 | .00014175 |
| 7 | 5s | 7.121870 | .00023168 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090362 | < R2 > | .010926 | < 1/R > | 16.671137 | < 1/R**2 > | 558.820617 |
Total Energy= -319.82735015 a.u.
Kinetic Energy= 319.80448272 a.u.
Potential Energy= -639.63183287 a.u.
Virial Ratio = -2.00007150