(1s 2 2s 2 ) 1 S S 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 13.273288 | .40974431 |
| 2 | 2s | 6.685433 | -.80851841 |
| 3 | 3s | 8.290111 | -.29499229 |
| 4 | 5s | 15.601471 | -.01652682 |
| 5 | 4s | 31.738231 | .00250852 |
| 6 | 5s | 46.455150 | -.00041693 |
| 7 | 4s | 2.679911 | .00003317 |
| ORB.ENERGY,a.u. | -23.773000 | ||
| NORM | 1.000000 | < R > | .415103 | < R2 > | .201215 | < 1/R > | 3.543577 | < 1/R**2 > | 50.569993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.449061 | .94594521 |
| 2 | 1s | 26.062762 | .03878828 |
| 3 | 2s | 21.021401 | .01710969 |
| 4 | 3s | 15.371492 | .00444793 |
| 5 | 4s | 61.704495 | -.00056339 |
| 6 | 5s | 81.844956 | .00020948 |
| ORB.ENERGY,a.u. | -112.530000 |
| NORM | 1.000000 | < R > | .096143 | < R2 > | .012368 | < 1/R > | 15.670609 | < 1/R**2 > | 493.894935 |
Total Energy= -295.67863205 a.u.
Kinetic Energy= 295.67864265 a.u.
Potential Energy= -591.35727469 a.u.
Virial Ratio = -1.99999996