(1s 1 4s 1 ) 3 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 1.099820 | .36189382 |
| 2 | 2s | 1.486851 | -.50665739 |
| 3 | 3s | .421350 | 2.32198998 |
| 4 | 4s | .484522 | -3.55711945 |
| 5 | 5s | .884057 | .89931357 |
| 6 | 4s | 1.653153 | -.22153646 |
| 7 | 5s | 10.358530 | -.00035241 |
| 8 | 4s | 17.946959 | -.00007493 |
| 9 | 5s | 68.079854 | -.00000319 |
| ORB.ENERGY,a.u. | -.137570 | ||
| NORM | 1.000004 | < R > | 10.961200 | < R2 > | 135.160229 | < 1/R > | .131612 | < 1/R**2 > | .127367 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930818 | .75881898 |
| 2 | 1s | 3.102157 | .25432519 |
| 3 | 2s | 2.907271 | -.01451375 |
| 4 | 3s | 3.409462 | -.00080877 |
| 5 | 4s | 2.832542 | .00015621 |
| ORB.ENERGY,a.u. | -4.356300 |
| NORM | 1.000000 | < R > | .499954 | < R2 > | .333295 | < 1/R > | 3.000370 | < 1/R**2 > | 18.004271 |
Total Energy= -4.63529929 a.u.
Kinetic Energy= 4.63702022 a.u.
Potential Energy= -9.27231951 a.u.
Virial Ratio = -1.99962887