(1s 2 4p 1 ) 2 P Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .245208 | .40230376 |
| 2 | 2p | .351546 | .81101113 |
| 3 | 3p | .264546 | -3.77401900 |
| 4 | 4p | .250111 | 3.25675360 |
| 5 | 2p | 1.431770 | .02897136 |
| 6 | 3p | 2.014119 | -.01443748 |
| 7 | 5p | 6.991940 | -.00026138 |
| ORB.ENERGY,a.u. | -.031781 | ||
| NORM | 1.000002 | < R > | 22.584809 | < R2 > | 579.252308 | < 1/R > | .064597 | < 1/R**2 > | .012027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392540 | .83091099 |
| 2 | 1s | 4.998002 | .13951122 |
| 3 | 2s | 4.599267 | .04733122 |
| 4 | 3s | 2.531485 | -.00356220 |
| 5 | 4s | 5.205611 | .00896741 |
| 6 | 5s | 20.621679 | -.00006404 |
| ORB.ENERGY,a.u. | -2.640100 |
| NORM | .999999 | < R > | .572493 | < R2 > | .445573 | < 1/R > | 2.687080 | < 1/R**2 > | 14.907267 |
Total Energy= -7.26818875 a.u.
Kinetic Energy= 7.26816823 a.u.
Potential Energy= -14.53635698 a.u.
Virial Ratio = -2.00000282