(1s 1 3s 1 ) 3 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 2.693403 | .25873779 |
| 2 | 2s | 1.567027 | -.83969252 |
| 3 | 3s | 1.021078 | 1.66493910 |
| 4 | 4s | 1.726927 | -.43749683 |
| 5 | 5s | 3.064420 | -.05202661 |
| 6 | 5s | .815326 | -.00346702 |
| 7 | 4s | 5.990453 | .00287020 |
| ORB.ENERGY,a.u. | -.548410 | ||
| NORM | .999999 | < R > | 4.126958 | < R2 > | 19.335283 | < 1/R > | .349350 | < 1/R**2 > | .696679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.919053 | .75859605 |
| 2 | 1s | 4.101359 | .25491917 |
| 3 | 2s | 4.044902 | -.01375371 |
| 4 | 3s | 4.439450 | -.00181300 |
| 5 | 4s | 4.370352 | .00016032 |
| 6 | 5s | 7.755950 | -.00025019 |
| ORB.ENERGY,a.u. | -7.659500 |
| NORM | 1.000000 | < R > | .374923 | < R2 > | .187455 | < 1/R > | 4.001140 | < 1/R**2 > | 32.017659 |
Total Energy= -8.53946588 a.u.
Kinetic Energy= 8.54661087 a.u.
Potential Energy= -17.08607675 a.u.
Virial Ratio = -1.99916400