(1s 1 3s 1 ) 1 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 2.164410 | .09010382 |
| 2 | 2s | .683595 | -1.09820288 |
| 3 | 3s | .703730 | 2.17215524 |
| 4 | 4s | 1.631367 | -.35346797 |
| 5 | 5s | 1.264993 | -.20314389 |
| 6 | 4s | 2.630327 | -.06807337 |
| 7 | 4s | .900790 | .01891659 |
| 8 | 5s | 15.586093 | -.00008470 |
| ORB.ENERGY,a.u. | -.247250 | ||
| NORM | 1.000001 | < R > | 6.077361 | < R2 > | 41.910952 | < 1/R > | .214384 | < 1/R**2 > | .113133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .630738 | .13032288 |
| 2 | 1s | 3.007458 | .99047630 |
| 3 | 2s | 1.255962 | -.11520208 |
| 4 | 3s | .908201 | -.05667273 |
| 5 | 4s | .774602 | .07045684 |
| 6 | 5s | .792137 | -.00561278 |
| 7 | 5s | 4.671945 | -.00093537 |
| ORB.ENERGY,a.u. | -4.247300 |
| NORM | 1.000000 | < R > | .508621 | < R2 > | .447555 | < 1/R > | 3.021284 | < 1/R**2 > | 18.211946 |
Total Energy= -4.75012981 a.u.
Kinetic Energy= 4.74668737 a.u.
Potential Energy= -9.49681719 a.u.
Virial Ratio = -2.00072523