(1s 1 2p 1 ) 3 P Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 2p- electron | |
| 1 | 2p | 1.699389 | .80224017 |
| 2 | 3p | 1.574142 | .20098175 |
| 3 | 2p | 3.609022 | .03211713 |
| 4 | 4p | 5.543433 | -.00323790 |
| 5 | 5p | 1.648097 | -.00314098 |
| ORB.ENERGY,a.u. | -1.173100 | ||
| NORM | 1.000000 | < R > | 1.580521 | < R2 > | 3.021310 | < 1/R > | .800647 | < 1/R**2 > | .871547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.853270 | .76652080 |
| 2 | 1s | 4.209412 | .24906533 |
| 3 | 2s | 3.923763 | -.02464595 |
| 4 | 3s | 3.409530 | .01095578 |
| 5 | 4s | 17.001275 | .00070438 |
| 6 | 5s | 21.367314 | -.00041441 |
| 7 | 5s | 2.481857 | .00059991 |
| 8 | 3s | 47.218551 | .00001511 |
| ORB.ENERGY,a.u. | -7.173100 |
| NORM | 1.000000 | < R > | .379084 | < R2 > | .192484 | < 1/R > | 3.971762 | < 1/R**2 > | 31.645320 |
Total Energy= -9.15191072 a.u.
Kinetic Energy= 9.17132205 a.u.
Potential Energy= -18.32323278 a.u.
Virial Ratio = -1.99788347