(1s 2 5d 1 ) 2 D Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | .200130 | 3.54400750 |
| 2 | 4d | .200090 | -8.83825617 |
| 3 | 5d | .200039 | 5.98929615 |
| 4 | 3d | 1.752095 | .00016362 |
| 5 | 5d | 7.201826 | .00003327 |
| ORB.ENERGY,a.u. | -.020002 | ||
| NORM | .999993 | < R > | 34.491850 | < R2 > | 1349.408460 | < 1/R > | .040015 | < 1/R**2 > | .003205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392832 | .83092021 |
| 2 | 1s | 4.998368 | .13948553 |
| 3 | 2s | 4.599772 | .04733752 |
| 4 | 3s | 2.458175 | -.00364893 |
| 5 | 4s | 5.210589 | .00895105 |
| 6 | 5s | 20.611325 | -.00006062 |
| ORB.ENERGY,a.u. | -2.676400 |
| NORM | 1.000000 | < R > | .572368 | < R2 > | .445321 | < 1/R > | 2.687417 | < 1/R**2 > | 14.910004 |
Total Energy= -7.25667994 a.u.
Kinetic Energy= 7.25641665 a.u.
Potential Energy= -14.51309660 a.u.
Virial Ratio = -2.00003628