(1s 2 5s 1 ) 2 S Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 6.661250 | .26083055 |
| 2 | 2s | 2.925608 | -5.23527440 |
| 3 | 3s | 3.073235 | 16.07160548 |
| 4 | 4s | 3.185208 | -17.15427907 |
| 5 | 5s | 3.008411 | 6.57875998 |
| 6 | 5s | 16.677244 | -.00246863 |
| 7 | 1s | 19.042454 | .01261478 |
| 8 | 4s | 67.169757 | -.00002486 |
| ORB.ENERGY,a.u. | -4.597800 | ||
| NORM | .999998 | < R > | 2.452798 | < R2 > | 6.738053 | < 1/R > | .607346 | < 1/R**2 > | 3.697202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.398948 | .93881413 |
| 2 | 1s | 25.824987 | .04857795 |
| 3 | 2s | 20.407866 | .01727930 |
| 4 | 3s | 15.344732 | .00038965 |
| 5 | 4s | 55.537656 | -.00062925 |
| 6 | 5s | 67.064192 | .00021066 |
| 7 | 3s | 91.763083 | -.00003301 |
| ORB.ENERGY,a.u. | -133.830000 |
| NORM | 1.000000 | < R > | .090234 | < R2 > | .010887 | < 1/R > | 16.686887 | < 1/R**2 > | 559.681536 |
Total Energy= -283.07353557 a.u.
Kinetic Energy= 283.07354936 a.u.
Potential Energy= -566.14708493 a.u.
Virial Ratio = -1.99999995