(1s 1 2s 1 ) 3 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2.605820 | .30006578 |
| 2 | 2s | 1.088720 | -.69831481 |
| 3 | 3s | 1.494652 | -.34034679 |
| 4 | 4s | 3.595101 | .01097838 |
| 5 | 5s | 1.428964 | -.04482423 |
| ORB.ENERGY,a.u. | -.609970 | ||
| NORM | 1.000000 | < R > | 2.492542 | < R2 > | 7.238538 | < 1/R > | .556476 | < 1/R**2 > | 1.159215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.932300 | .75996897 |
| 2 | 1s | 3.092739 | .25535548 |
| 3 | 2s | 3.216186 | -.01189126 |
| 4 | 3s | 3.318152 | -.00742267 |
| 5 | 4s | 7.878782 | .00026455 |
| 6 | 5s | 3.424030 | .00135794 |
| ORB.ENERGY,a.u. | -3.985000 |
| NORM | 1.000000 | < R > | .499301 | < R2 > | .332550 | < 1/R > | 3.004435 | < 1/R**2 > | 18.048476 |
Total Energy= -5.09216990 a.u.
Kinetic Energy= 5.10935810 a.u.
Potential Energy= -10.20152799 a.u.
Virial Ratio = -1.99663594