(1s 1 3s 1 ) 3 S Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 2.112381 | .21393262 |
| 2 | 2s | 1.341210 | -.48665471 |
| 3 | 3s | .692297 | 1.53986102 |
| 4 | 4s | 1.723212 | -.34717735 |
| 5 | 5s | 1.379426 | -.37948208 |
| 6 | 4s | 8.448657 | -.00031182 |
| 7 | 5s | .550823 | -.00462234 |
| ORB.ENERGY,a.u. | -.252330 | ||
| NORM | .999999 | < R > | 5.976666 | < R2 > | 40.563725 | < 1/R > | .238173 | < 1/R**2 > | .314921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.931071 | .75898531 |
| 2 | 1s | 3.101734 | .25436902 |
| 3 | 2s | 3.014752 | -.01327400 |
| 4 | 3s | 3.302009 | -.00209321 |
| 5 | 4s | 3.392434 | .00017253 |
| 6 | 5s | 5.576240 | -.00031477 |
| ORB.ENERGY,a.u. | -4.252300 |
| NORM | 1.000000 | < R > | .499870 | < R2 > | .333215 | < 1/R > | 3.000981 | < 1/R**2 > | 18.011157 |
Total Energy= -4.74742109 a.u.
Kinetic Energy= 4.75177104 a.u.
Potential Energy= -9.49919213 a.u.
Virial Ratio = -1.99908456