(1s 1 2p 1 ) 1 P Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 6.080369 | .00129827 |
| 2 | 2p | .972907 | .95214784 |
| 3 | 3p | 1.404862 | .04986877 |
| 4 | 4p | 5.072484 | -.00237856 |
| 5 | 5p | .842971 | -.00202229 |
| 6 | 4p | .450943 | .00032773 |
| ORB.ENERGY,a.u. | -.490660 | ||
| NORM | 1.000000 | < R > | 2.564468 | < R2 > | 7.864381 | < 1/R > | .485162 | < 1/R**2 > | .312321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.936710 | .75891736 |
| 2 | 1s | 3.102233 | .25381683 |
| 3 | 2s | 2.669783 | -.01480845 |
| 4 | 3s | 1.481562 | -.00212557 |
| ORB.ENERGY,a.u. | -3.865700 |
| NORM | 1.000000 | < R > | .498317 | < R2 > | .330535 | < 1/R > | 3.006400 | < 1/R**2 > | 18.060248 |
Total Energy= -5.01036196 a.u.
Kinetic Energy= 4.99010502 a.u.
Potential Energy= -10.00046698 a.u.
Virial Ratio = -2.00405942