(1s 2 5s 1 ) 2 S Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 1.764684 | .03669879 |
| 2 | 2s | .375977 | -.96918453 |
| 3 | 3s | .310427 | 3.47320107 |
| 4 | 4s | .262625 | -4.34196638 |
| 5 | 5s | .212074 | 2.62103095 |
| 6 | 5s | .516377 | -.30574821 |
| 7 | 1s | 3.941449 | .00798978 |
| 8 | 4s | 9.537382 | -.00004942 |
| ORB.ENERGY,a.u. | -.013571 | ||
| NORM | .999976 | < R > | 31.844524 | < R2 > | 1137.032173 | < 1/R > | .045141 | < 1/R**2 > | .018554 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392744 | .83091169 |
| 2 | 1s | 4.998307 | .13949092 |
| 3 | 2s | 4.599997 | .04734397 |
| 4 | 3s | 2.466056 | -.00363769 |
| 5 | 4s | 5.208870 | .00895499 |
| 6 | 5s | 20.665553 | -.00006468 |
| ORB.ENERGY,a.u. | -2.663900 |
| NORM | 1.000000 | < R > | .572394 | < R2 > | .445368 | < 1/R > | 2.687328 | < 1/R**2 > | 14.909180 |
Total Energy= -7.25998404 a.u.
Kinetic Energy= 7.25998190 a.u.
Potential Energy= -14.51996593 a.u.
Virial Ratio = -2.00000029