(1s 2 2p 1 ) 2 P Li 0
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 | .519076 | .97777420 |
| 2 | 2p | 1.375661 | .01935831 |
| 3 | 2p | 2.716236 | .01129154 |
| 4 | 3p | 3.282597 | -.00166949 |
| 5 | 5p | .606508 | .01358635 |
| ORB.ENERGY,a.u. | -.128650 | ||
| NORM | 1.000000 | < R > | 4.795653 | < R2 > | 27.826463 | < 1/R > | .265020 | < 1/R**2 > | .097227 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.390350 | .83082168 |
| 2 | 1s | 4.999892 | .13958487 |
| 3 | 2s | 4.601281 | .04737810 |
| 4 | 3s | 2.963003 | -.00339521 |
| 5 | 4s | 5.209293 | .00919782 |
| 6 | 5s | 21.160842 | -.00005480 |
| 7 | 5s | 1.599219 | .00075515 |
| ORB.ENERGY,a.u. | -2.340400 |
| NORM | 1.000000 | < R > | .573314 | < R2 > | .447285 | < 1/R > | 2.685004 | < 1/R**2 > | 14.890547 |
Total Energy= -7.36506964 a.u.
Kinetic Energy= 7.36506842 a.u.
Potential Energy= -14.73013806 a.u.
Virial Ratio = -2.00000017