(1s 2 2s 1 ) 2 S N 4+
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 | 6.107113 | .31329677 |
| 2 | 1s | 13.859481 | .00498939 |
| 3 | 2s | 2.685265 | -1.23696942 |
| 4 | 3s | 12.594501 | -.00299201 |
| 5 | 2s | 4.631825 | .22397364 |
| 6 | 4s | 1.952598 | .00037577 |
| ORB.ENERGY,a.u. | -3.592800 | ||
| NORM | 1.000000 | < R > | 1.052534 | < R2 > | 1.292351 | < 1/R > | 1.369412 | < 1/R**2 > | 7.565314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.251555 | .70898397 |
| 2 | 1s | 9.273790 | .23164023 |
| 3 | 2s | 7.126033 | .08415389 |
| 4 | 3s | 8.094929 | -.01335637 |
| 5 | 4s | 12.863287 | .00612038 |
| 6 | 5s | 8.448144 | -.00186595 |
| 7 | 5s | 4.244422 | .00074377 |
| 8 | 5s | 27.917851 | .00013075 |
| ORB.ENERGY,a.u. | -18.977000 |
| NORM | 1.000000 | < R > | .226939 | < R2 > | .069240 | < 1/R > | 6.678307 | < 1/R**2 > | 90.365911 |
Total Energy= -48.32685019 a.u.
Kinetic Energy= 48.32685108 a.u.
Potential Energy= -96.65370127 a.u.
Virial Ratio = -1.99999998