(1s 1 4s 1 ) 1 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | .379335 | .83980997 |
| 2 | 2s | .558583 | -3.60691787 |
| 3 | 3s | .527707 | 7.37251165 |
| 4 | 4s | .532274 | -5.42798487 |
| 5 | 5s | 1.335477 | .07016083 |
| 6 | 2s | 6.166865 | -.00054218 |
| 7 | 4s | 4.728647 | .00410311 |
| 8 | 5s | .425547 | -.03514771 |
| ORB.ENERGY,a.u. | -.135230 | ||
| NORM | .999997 | < R > | 11.131804 | < R2 > | 139.407370 | < 1/R > | .121919 | < 1/R**2 > | .049063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .382746 | .16423735 |
| 2 | 1s | 3.006592 | .99190199 |
| 3 | 2s | .949349 | -.13584779 |
| 4 | 3s | .291295 | -.15426780 |
| 5 | 4s | 1.695179 | .01329074 |
| 6 | 5s | .361206 | .08501064 |
| 7 | 5s | 4.953549 | -.00040732 |
| ORB.ENERGY,a.u. | -4.354000 |
| NORM | 1.000000 | < R > | .508138 | < R2 > | .477257 | < 1/R > | 3.008395 | < 1/R**2 > | 18.083528 |
Total Energy= -4.63626631 a.u.
Kinetic Energy= 4.63468124 a.u.
Potential Energy= -9.27094755 a.u.
Virial Ratio = -2.00034200