(1s 2 5s 1 ) 2 S Na 8+
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 | 4.316334 | .20997467 |
| 2 | 2s | 1.946841 | -3.86161984 |
| 3 | 3s | 1.922625 | 12.82743908 |
| 4 | 4s | 1.972016 | -14.03331838 |
| 5 | 5s | 1.801655 | 5.31545205 |
| 6 | 5s | 10.359493 | -.00436754 |
| 7 | 1s | 11.970479 | .01897646 |
| 8 | 4s | 53.838153 | -.00011097 |
| 9 | 5s | 1.087509 | -.00266809 |
| 10 | 5s | 73.178008 | .00005898 |
| ORB.ENERGY,a.u. | -1.672200 | ||
| NORM | .999996 | < R > | 4.041105 | < R2 > | 18.289887 | < 1/R > | .367162 | < 1/R**2 > | 1.350721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.465603 | .93791677 |
| 2 | 1s | 17.493421 | .04957707 |
| 3 | 2s | 13.582793 | .01673539 |
| 4 | 3s | 10.765253 | .00306740 |
| 5 | 4s | 30.854144 | -.00152731 |
| 6 | 5s | 36.507235 | .00063065 |
| 7 | 3s | 49.382193 | -.00010397 |
| ORB.ENERGY,a.u. | -53.437000 |
| NORM | 1.000000 | < R > | .141199 | < R2 > | .026703 | < 1/R > | 10.686961 | < 1/R**2 > | 230.208317 |
Total Energy= -115.90690215 a.u.
Kinetic Energy= 115.90691916 a.u.
Potential Energy= -231.81382131 a.u.
Virial Ratio = -1.99999985