(1s 1 2s 1 ) 3 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 3.386136 | .34794503 |
| 2 | 2s | 1.573484 | -.74245944 |
| 3 | 3s | 2.073886 | -.33224771 |
| 4 | 4s | 4.878513 | .00984405 |
| 5 | 5s | 2.028536 | -.02932457 |
| ORB.ENERGY,a.u. | -1.297600 | ||
| NORM | 1.000000 | < R > | 1.754287 | < R2 > | 3.582669 | < 1/R > | .806215 | < 1/R**2 > | 2.496419 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917382 | .75997110 |
| 2 | 1s | 4.093680 | .25592526 |
| 3 | 2s | 4.214230 | -.01347923 |
| 4 | 3s | 4.533636 | -.00614365 |
| 5 | 4s | 10.669433 | .00025489 |
| 6 | 5s | 4.596810 | .00106826 |
| ORB.ENERGY,a.u. | -7.297600 |
| NORM | 1.000000 | < R > | .374549 | < R2 > | .187132 | < 1/R > | 4.005269 | < 1/R**2 > | 32.077530 |
Total Energy= -9.26778980 a.u.
Kinetic Energy= 9.29560401 a.u.
Potential Energy= -18.56339382 a.u.
Virial Ratio = -1.99700781