(1s 2 2s 1 ) 2 S S 13+
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 | 13.673510 | .40214056 |
| 2 | 2s | 6.797368 | -.68016660 |
| 3 | 3s | 8.590265 | -.41335796 |
| 4 | 5s | 16.034970 | -.01648862 |
| 5 | 4s | 31.500668 | .00118200 |
| 6 | 5s | 52.402880 | -.00007248 |
| 7 | 5s | 5.205991 | .00035622 |
| ORB.ENERGY,a.u. | -25.978000 | ||
| NORM | 1.000000 | < R > | .407118 | < R2 > | .193281 | < 1/R > | 3.627217 | < 1/R**2 > | 52.996225 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.393693 | .93900799 |
| 2 | 1s | 24.337369 | .04921765 |
| 3 | 2s | 18.728469 | .01695275 |
| 4 | 3s | 9.932296 | .00108418 |
| 5 | 4s | 27.528848 | -.00097234 |
| 6 | 5s | 37.726059 | .00037618 |
| 7 | 3s | 42.158710 | -.00045806 |
| ORB.ENERGY,a.u. | -115.270000 |
| NORM | 1.000000 | < R > | .096119 | < R2 > | .012363 | < 1/R > | 15.674897 | < 1/R**2 > | 494.150906 |
Total Energy= -271.99242434 a.u.
Kinetic Energy= 271.99242738 a.u.
Potential Energy= -543.98485172 a.u.
Virial Ratio = -1.99999999