(1s 1 5s 1 ) 1 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 3.074413 | .02651295 |
| 2 | 2s | .363997 | -5.18326922 |
| 3 | 3s | .511920 | 7.56399187 |
| 4 | 4s | .375566 | -12.31966590 |
| 5 | 5s | .402634 | 11.18070822 |
| 6 | 2s | 2.009930 | .07876214 |
| 7 | 5s | 6.471626 | .00151796 |
| 8 | 5s | .280505 | .02731626 |
| 9 | 3s | 16.638375 | -.00005787 |
| ORB.ENERGY,a.u. | -.085352 | ||
| NORM | .999981 | < R > | 17.680700 | < R2 > | 350.157322 | < 1/R > | .078490 | < 1/R**2 > | .025311 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.559135 | .11426719 |
| 2 | 1s | 3.027229 | .94559093 |
| 3 | 2s | 1.758467 | -.07792423 |
| 4 | 5s | .519261 | -.23759809 |
| 5 | 4s | .414141 | .23529545 |
| 6 | 3s | 5.775751 | -.00015424 |
| 7 | 5s | 2.900965 | .00557533 |
| 8 | 5s | .304430 | .00609196 |
| ORB.ENERGY,a.u. | -4.405400 |
| NORM | 1.000000 | < R > | .507001 | < R2 > | .505609 | < 1/R > | 3.004153 | < 1/R**2 > | 18.041271 |
Total Energy= -4.58564065 a.u.
Kinetic Energy= 4.58480984 a.u.
Potential Energy= -9.17045049 a.u.
Virial Ratio = -2.00018121