(1s 1 2s 1 ) 1 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 1.643356 | .19918333 |
| 2 | 2s | 1.052579 | -.82389747 |
| 3 | 3s | 1.612555 | -.26634458 |
| 4 | 4s | 4.961686 | .00991550 |
| 5 | 5s | 1.109791 | .08734551 |
| 6 | 4s | 1.015184 | -.11154978 |
| 7 | 3s | 17.689720 | -.00018537 |
| 8 | 5s | 34.494069 | .00004908 |
| ORB.ENERGY,a.u. | -.599830 | ||
| NORM | 1.000000 | < R > | 2.521375 | < R2 > | 7.321099 | < 1/R > | .469388 | < 1/R**2 > | .340962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.961311 | .78247168 |
| 2 | 1s | 3.055419 | .25249589 |
| 3 | 2s | 1.070447 | -.11604279 |
| 4 | 3s | 1.454366 | -.03335489 |
| 5 | 4s | 3.274447 | .00052004 |
| 6 | 5s | 3.922343 | -.00434054 |
| ORB.ENERGY,a.u. | -3.974800 |
| NORM | 1.000000 | < R > | .496982 | < R2 > | .390281 | < 1/R > | 3.085679 | < 1/R**2 > | 18.849885 |
Total Energy= -5.10629667 a.u.
Kinetic Energy= 5.09919194 a.u.
Potential Energy= -10.20548861 a.u.
Virial Ratio = -2.00139330