(1s 2 3s 1 ) 2 S S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 11.116859 | .29385765 |
| 2 | 2s | 5.130922 | -1.55144341 |
| 3 | 3s | 4.676439 | 2.15351397 |
| 4 | 4s | 8.272129 | -.18709717 |
| 5 | 5s | 14.459289 | -.02440769 |
| 6 | 5s | 3.475583 | -.00640495 |
| 7 | 4s | 32.345571 | .00175258 |
| 8 | 5s | 46.451121 | -.00037250 |
| 9 | 4s | 2.447395 | .00392612 |
| 10 | 2s | 21.248379 | .00025793 |
| 11 | 3s | 1.663999 | -.00108455 |
| ORB.ENERGY,a.u. | -11.310000 | ||
| NORM | 1.000000 | < R > | .932035 | < R2 > | .986501 | < 1/R > | 1.590381 | < 1/R**2 > | 15.240390 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.408261 | .93775277 |
| 2 | 1s | 24.097456 | .05023155 |
| 3 | 2s | 18.574938 | .01693401 |
| 4 | 3s | 15.849897 | .00093673 |
| 5 | 4s | 23.994290 | -.00098510 |
| 6 | 5s | 33.824474 | .00032643 |
| 7 | 3s | 41.536388 | -.00046837 |
| 8 | 5s | 5.218159 | -.00006371 |
| ORB.ENERGY,a.u. | -116.960000 |
| NORM | 1.000000 | < R > | .096029 | < R2 > | .012334 | < 1/R > | 15.684553 | < 1/R**2 > | 494.646069 |
Total Energy= -257.38769206 a.u.
Kinetic Energy= 257.38769206 a.u.
Potential Energy= -514.77538413 a.u.
Virial Ratio = -2.00000000