(1s 2 2s 1 ) 2 S Li 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 2.758929 | .12286101 |
| 2 | 1s | 4.357857 | .01763672 |
| 3 | 2s | .683461 | -1.02096876 |
| 4 | 2s | 2.037058 | .08919364 |
| 5 | 3s | .524754 | -.03603484 |
| 6 | 4s | 10.282048 | -.00020803 |
| 7 | 3s | .388475 | .00590162 |
| ORB.ENERGY,a.u. | -.196320 | ||
| NORM | 1.000000 | < R > | 3.873663 | < R2 > | 17.738526 | < 1/R > | .345391 | < 1/R**2 > | .435420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.389735 | .83075554 |
| 2 | 1s | 4.997269 | .13974948 |
| 3 | 2s | 4.615857 | .04703788 |
| 4 | 3s | 3.517615 | -.00305578 |
| 5 | 4s | 5.309934 | .01006589 |
| 6 | 5s | 3.104850 | -.00135216 |
| 7 | 5s | 1.491917 | .00071726 |
| 8 | 5s | 25.280842 | -.00003458 |
| ORB.ENERGY,a.u. | -2.323300 |
| NORM | 1.000000 | < R > | .573125 | < R2 > | .446801 | < 1/R > | 2.685034 | < 1/R**2 > | 14.888247 |
Total Energy= -7.43272714 a.u.
Kinetic Energy= 7.43272667 a.u.
Potential Energy= -14.86545381 a.u.
Virial Ratio = -2.00000006