(1s 2 4s 1 ) 2 S Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 2.770193 | .04645660 |
| 2 | 2s | .344127 | -1.13349100 |
| 3 | 3s | .317833 | 2.92609012 |
| 4 | 4s | .284306 | -2.58207187 |
| 5 | 5s | .674897 | .18780002 |
| 6 | 4s | 1.525117 | -.05036892 |
| 7 | 4s | 4.405980 | .00424959 |
| 8 | 5s | 11.903861 | .00016117 |
| ORB.ENERGY,a.u. | -.038476 | ||
| NORM | 1.000004 | < R > | 19.513511 | < R2 > | 428.997072 | < 1/R > | .072791 | < 1/R**2 > | .038581 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392628 | .83090757 |
| 2 | 1s | 4.998185 | .13950213 |
| 3 | 2s | 4.599660 | .04734026 |
| 4 | 3s | 2.477659 | -.00362690 |
| 5 | 4s | 5.210393 | .00895757 |
| 6 | 5s | 20.629401 | -.00006434 |
| ORB.ENERGY,a.u. | -2.637900 |
| NORM | 1.000000 | < R > | .572423 | < R2 > | .445423 | < 1/R > | 2.687230 | < 1/R**2 > | 14.908266 |
Total Energy= -7.27488984 a.u.
Kinetic Energy= 7.27489141 a.u.
Potential Energy= -14.54978125 a.u.
Virial Ratio = -1.99999978