(1s 2 3p 1 ) 2 P Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | .332558 | 1.70613079 |
| 2 | 3p | .338764 | -2.28085950 |
| 3 | 2p | 1.378196 | .01539520 |
| 4 | 3p | .453277 | -.04098404 |
| 5 | 2p | 3.075432 | .00446654 |
| 6 | 5p | .778869 | -.01437444 |
| ORB.ENERGY,a.u. | -.056773 | ||
| NORM | 1.000004 | < R > | 12.186824 | < R2 > | 171.530436 | < 1/R > | .115975 | < 1/R**2 > | .028676 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.392126 | .83093878 |
| 2 | 1s | 4.997158 | .13955312 |
| 3 | 2s | 4.598793 | .04730979 |
| 4 | 3s | 2.709058 | -.00384895 |
| 5 | 4s | 5.167669 | .00934038 |
| 6 | 5s | 21.825571 | -.00006024 |
| 7 | 5s | 1.513556 | .00010379 |
| ORB.ENERGY,a.u. | -2.563600 |
| NORM | 1.000000 | < R > | .572664 | < R2 > | .445926 | < 1/R > | 2.686646 | < 1/R**2 > | 14.903748 |
Total Energy= -7.29318858 a.u.
Kinetic Energy= 7.29319024 a.u.
Potential Energy= -14.58637882 a.u.
Virial Ratio = -1.99999977