(1s 2 2s 1 ) 2 S Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 14.493363 | .40632007 |
| 2 | 2s | 7.267181 | -.68386487 |
| 3 | 3s | 9.185313 | -.41343521 |
| 4 | 5s | 17.203143 | -.01544457 |
| 5 | 4s | 33.671216 | .00097891 |
| 6 | 5s | 59.639758 | -.00004799 |
| 7 | 5s | 5.554253 | .00036623 |
| ORB.ENERGY,a.u. | -29.735000 | ||
| NORM | 1.000000 | < R > | .381212 | < R2 > | .169468 | < 1/R > | 3.877557 | < 1/R**2 > | 60.545467 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.380387 | .94028364 |
| 2 | 1s | 25.950985 | .04791854 |
| 3 | 2s | 20.226663 | .01697747 |
| 4 | 3s | 10.382986 | .00096223 |
| 5 | 4s | 29.279961 | -.00102953 |
| 6 | 5s | 40.747729 | .00035455 |
| 7 | 3s | 43.784080 | -.00047886 |
| ORB.ENERGY,a.u. | -131.030000 |
| NORM | 1.000000 | < R > | .090332 | < R2 > | .010916 | < 1/R > | 16.674738 | < 1/R**2 > | 559.015549 |
Total Energy= -308.09444991 a.u.
Kinetic Energy= 308.09445420 a.u.
Potential Energy= -616.18890411 a.u.
Virial Ratio = -1.99999999