(1s 1 2s 1 ) 1 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 1.595972 | .36547714 |
| 2 | 2s | 1.531772 | -1.03498377 |
| 3 | 3s | 2.320776 | -.26284113 |
| 4 | 4s | 6.884815 | .00755857 |
| 5 | 5s | 1.516299 | .03929006 |
| 6 | 4s | 1.312558 | -.03224637 |
| 7 | 3s | 26.277578 | -.00008679 |
| 8 | 5s | 51.363953 | .00002286 |
| ORB.ENERGY,a.u. | -1.281600 | ||
| NORM | 1.000000 | < R > | 1.769957 | < R2 > | 3.596729 | < 1/R > | .668026 | < 1/R**2 > | .708100 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.956701 | .87480682 |
| 2 | 1s | 4.044260 | .16938615 |
| 3 | 2s | 1.564965 | -.13341585 |
| 4 | 3s | 1.986796 | -.04044613 |
| 5 | 4s | 8.990939 | .00049553 |
| 6 | 5s | 5.223679 | -.00233129 |
| 7 | 5s | 13.325363 | -.00009889 |
| ORB.ENERGY,a.u. | -7.281600 |
| NORM | 1.000000 | < R > | .371907 | < R2 > | .221109 | < 1/R > | 4.137562 | < 1/R**2 > | 33.839125 |
Total Energy= -9.29100248 a.u.
Kinetic Energy= 9.27957942 a.u.
Potential Energy= -18.57058189 a.u.
Virial Ratio = -2.00123099