(1s 1 4p 1 ) 1 P Li +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | .500766 | 2.30465890 |
| 2 | 3p | .509009 | -5.80446136 |
| 3 | 4p | .498280 | 4.34401521 |
| 4 | 5p | .631131 | -.17350879 |
| 5 | 3p | 3.553054 | -.00728008 |
| 6 | 4p | 2.353853 | -.01075938 |
| ORB.ENERGY,a.u. | -.124300 | ||
| NORM | .999995 | < R > | 11.619575 | < R2 > | 153.098764 | < 1/R > | .123408 | < 1/R**2 > | .040106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 2.930795 | .75890147 |
| 2 | 1s | 3.102140 | .25430827 |
| 3 | 2s | 2.908474 | -.01454919 |
| 4 | 3s | 2.967209 | -.00102644 |
| 5 | 4s | 3.760414 | .00015735 |
| 6 | 5s | 1.362402 | .00014271 |
| ORB.ENERGY,a.u. | -4.343000 |
| NORM | 1.000000 | < R > | .499855 | < R2 > | .333116 | < 1/R > | 3.000632 | < 1/R**2 > | 18.006179 |
Total Energy= -4.62652869 a.u.
Kinetic Energy= 4.62375315 a.u.
Potential Energy= -9.25028183 a.u.
Virial Ratio = -2.00060028