(1s 2 5p 1 ) 2 P Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | .301872 | 5.56618809 |
| 2 | 3p | .496686 | -6.55453122 |
| 3 | 4p | .384547 | 7.63460773 |
| 4 | 5p | .394582 | -7.99490535 |
| 5 | 2p | 2.434448 | .02187691 |
| 6 | 5p | 2.412877 | .00483275 |
| 7 | 3p | 3.637912 | -.00594385 |
| ORB.ENERGY,a.u. | -.081373 | ||
| NORM | .999984 | < R > | 17.928205 | < R2 > | 362.073876 | < 1/R > | .082361 | < 1/R**2 > | .024454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.252308 | .75165307 |
| 2 | 1s | 5.887482 | .20558556 |
| 3 | 2s | 5.117303 | .06545693 |
| 4 | 3s | 3.340896 | -.01072435 |
| 5 | 4s | 6.618674 | .00751462 |
| 6 | 5s | 22.189211 | -.00015693 |
| 7 | 4s | 33.537203 | -.00002814 |
| ORB.ENERGY,a.u. | -5.510100 |
| NORM | 1.000000 | < R > | .414232 | < R2 > | .231955 | < 1/R > | 3.686955 | < 1/R**2 > | 27.818880 |
Total Energy= -13.69266940 a.u.
Kinetic Energy= 13.69266828 a.u.
Potential Energy= -27.38533768 a.u.
Virial Ratio = -2.00000008