(1s 1 2p 1 ) 3 P Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 1.162497 | .77727337 |
| 2 | 3p | 1.057272 | .22973563 |
| 3 | 2p | 2.662622 | .03633625 |
| 4 | 4p | 4.127147 | -.00361438 |
| 5 | 5p | 1.079878 | -.00426860 |
| ORB.ENERGY,a.u. | -.525220 | ||
| NORM | 1.000000 | < R > | 2.342707 | < R2 > | 6.653727 | < 1/R > | .542489 | < 1/R**2 > | .403293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.870678 | .76770940 |
| 2 | 1s | 3.212465 | .24803145 |
| 3 | 2s | 2.838041 | -.02508514 |
| 4 | 3s | 2.463675 | .01168420 |
| 5 | 4s | 12.511427 | .00076797 |
| 6 | 5s | 15.727024 | -.00045214 |
| 7 | 5s | 1.779918 | .00082606 |
| 8 | 3s | 34.765879 | .00001647 |
| ORB.ENERGY,a.u. | -3.900200 |
| NORM | 1.000000 | < R > | .505730 | < R2 > | .342773 | < 1/R > | 2.978107 | < 1/R**2 > | 17.794856 |
Total Energy= -5.01367612 a.u.
Kinetic Energy= 5.02466842 a.u.
Potential Energy= -10.03834454 a.u.
Virial Ratio = -1.99781233