(1s 2 2s 2 ) 1 S P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 12.498684 | .40312620 |
| 2 | 2s | 6.202102 | -.80416631 |
| 3 | 3s | 7.716347 | -.29375027 |
| 4 | 5s | 14.553806 | -.01754662 |
| 5 | 4s | 29.641301 | .00274634 |
| 6 | 5s | 43.184921 | -.00046884 |
| 7 | 4s | 2.494493 | .00003475 |
| ORB.ENERGY,a.u. | -20.425000 | ||
| NORM | 1.000000 | < R > | .446040 | < R2 > | .232355 | < 1/R > | 3.293256 | < 1/R**2 > | 43.688859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.437165 | .94174157 |
| 2 | 1s | 23.849351 | .04363524 |
| 3 | 2s | 19.020621 | .01721893 |
| 4 | 3s | 13.940680 | .00372810 |
| 5 | 4s | 60.200033 | -.00051385 |
| 6 | 5s | 80.655840 | .00018804 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102725 | < R2 > | .014122 | < 1/R > | 14.670883 | < 1/R**2 > | 433.051547 |
Total Energy= -258.50030481 a.u.
Kinetic Energy= 258.50031181 a.u.
Potential Energy= -517.00061662 a.u.
Virial Ratio = -1.99999997