(1s 2 3s 1 ) 2 S Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 2.744276 | .07663094 |
| 2 | 2s | .371485 | -1.65421228 |
| 3 | 3s | .410209 | 2.36423096 |
| 4 | 4s | 1.134884 | -.09204629 |
| 5 | 5s | 2.114242 | -.02967886 |
| 6 | 4s | 4.429929 | .00681470 |
| 7 | 5s | .401742 | .06701066 |
| 8 | 5s | 10.687317 | .00031508 |
| 9 | 4s | 43.919665 | -.00000704 |
| ORB.ENERGY,a.u. | -.073800 | ||
| NORM | 1.000000 | < R > | 10.195514 | < R2 > | 118.529927 | < 1/R > | .136571 | < 1/R**2 > | .101850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392277 | .83089737 |
| 2 | 1s | 4.998063 | .13952257 |
| 3 | 2s | 4.598704 | .04733910 |
| 4 | 3s | 2.523222 | -.00360527 |
| 5 | 4s | 5.213755 | .00898701 |
| 6 | 5s | 20.546936 | -.00006313 |
| ORB.ENERGY,a.u. | -2.558400 |
| NORM | 1.000000 | < R > | .572519 | < R2 > | .445602 | < 1/R > | 2.686913 | < 1/R**2 > | 14.905339 |
Total Energy= -7.31021271 a.u.
Kinetic Energy= 7.31021067 a.u.
Potential Energy= -14.62042338 a.u.
Virial Ratio = -2.00000028