(1s 1 5s 1 ) 3 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 2.512922 | .07403660 |
| 2 | 2s | .453018 | -3.39518545 |
| 3 | 3s | .566656 | 5.37734063 |
| 4 | 4s | .366891 | -11.32907797 |
| 5 | 5s | .396838 | 10.38220706 |
| 6 | 2s | 1.380040 | .09618521 |
| 7 | 5s | 2.566035 | -.01126798 |
| 8 | 3s | 17.872356 | .00001165 |
| 9 | 5s | .149267 | .00164975 |
| ORB.ENERGY,a.u. | -.086580 | ||
| NORM | .999985 | < R > | 17.446388 | < R2 > | 340.885189 | < 1/R > | .083351 | < 1/R**2 > | .063584 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930353 | .75885419 |
| 2 | 1s | 3.102233 | .25437735 |
| 3 | 2s | 2.924203 | -.01453086 |
| 4 | 3s | 3.309715 | -.00078930 |
| ORB.ENERGY,a.u. | -4.406600 |
| NORM | 1.000000 | < R > | .499978 | < R2 > | .333316 | < 1/R > | 3.000179 | < 1/R**2 > | 18.002081 |
Total Energy= -4.58518349 a.u.
Kinetic Energy= 4.58602618 a.u.
Potential Energy= -9.17120966 a.u.
Virial Ratio = -1.99981625