(1s 2 5s 1 ) 2 S O 5+
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 | 3.438384 | .16968029 |
| 2 | 2s | 1.447222 | -2.89063823 |
| 3 | 3s | 1.338553 | 10.52706178 |
| 4 | 4s | 1.360101 | -11.73771423 |
| 5 | 5s | 1.199571 | 4.41706391 |
| 6 | 5s | 2.741096 | -.06278924 |
| 7 | 1s | 9.703392 | .01436078 |
| 8 | 4s | 29.023453 | -.00006751 |
| 9 | 4s | .716865 | -.00917930 |
| ORB.ENERGY,a.u. | -.752900 | ||
| NORM | .999994 | < R > | 5.981568 | < R2 > | 40.072813 | < 1/R > | .246955 | < 1/R**2 > | .609827 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.364961 | .73004859 |
| 2 | 1s | 10.607421 | .20551521 |
| 3 | 2s | 7.656775 | .09848355 |
| 4 | 3s | 8.203351 | -.02366476 |
| 5 | 4s | 14.442849 | .00452739 |
| 6 | 5s | 60.849900 | -.00001862 |
| 7 | 5s | 8.094266 | -.00056699 |
| ORB.ENERGY,a.u. | -26.875000 |
| NORM | 1.000000 | < R > | .196774 | < R2 > | .051955 | < 1/R > | 7.687035 | < 1/R**2 > | 119.471587 |
Total Energy= -59.86372626 a.u.
Kinetic Energy= 59.86373364 a.u.
Potential Energy= -119.72745990 a.u.
Virial Ratio = -1.99999988