(1s 2 2p 1 ) 2 P S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 7.047974 | .97064735 |
| 2 | 2p | 13.398540 | .01669632 |
| 3 | 2p | 19.400241 | .00473175 |
| 4 | 3p | 10.668723 | .01483294 |
| 5 | 4p | 7.134881 | -.00108659 |
| 6 | 5p | 35.727512 | -.00022740 |
| ORB.ENERGY,a.u. | -24.907000 | ||
| NORM | 1.000000 | < R > | .350348 | < R2 > | .147700 | < 1/R > | 3.583338 | < 1/R**2 > | 17.240480 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.409931 | .93766145 |
| 2 | 1s | 24.307577 | .04886667 |
| 3 | 2s | 19.417636 | .01555751 |
| 4 | 3s | 14.822870 | .00427936 |
| 5 | 4s | 59.414015 | -.00051868 |
| 6 | 5s | 77.443586 | .00020123 |
| 7 | 5s | 10.792658 | .00008243 |
| ORB.ENERGY,a.u. | -114.850000 |
| NORM | 1.000000 | < R > | .096248 | < R2 > | .012401 | < 1/R > | 15.661327 | < 1/R**2 > | 493.506688 |
Total Energy= -270.98023644 a.u.
Kinetic Energy= 270.98023875 a.u.
Potential Energy= -541.96047519 a.u.
Virial Ratio = -1.99999999