(1s 1 4s 1 ) 3 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 1.481864 | .40568135 |
| 2 | 2s | 1.917225 | -.62845639 |
| 3 | 3s | .641673 | 2.76289827 |
| 4 | 4s | .725157 | -3.94109466 |
| 5 | 5s | 1.256251 | .88687607 |
| 6 | 4s | 2.257456 | -.20318414 |
| 7 | 5s | 15.658262 | -.00010848 |
| ORB.ENERGY,a.u. | -.302060 | ||
| NORM | 1.000006 | < R > | 7.499985 | < R2 > | 63.269468 | < 1/R > | .194165 | < 1/R**2 > | .285406 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.918588 | .75846699 |
| 2 | 1s | 4.102233 | .25487040 |
| 3 | 2s | 3.918674 | -.01487687 |
| 4 | 3s | 4.657350 | -.00063950 |
| 5 | 4s | 3.904472 | .00014066 |
| ORB.ENERGY,a.u. | -7.802100 |
| NORM | 1.000000 | < R > | .374974 | < R2 > | .187488 | < 1/R > | 4.000428 | < 1/R**2 > | 32.006748 |
Total Energy= -8.29746604 a.u.
Kinetic Energy= 8.30031700 a.u.
Potential Energy= -16.59778304 a.u.
Virial Ratio = -1.99965652