(1s 1 3s 1 ) 1 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 1.858847 | .20863100 |
| 2 | 2s | 1.039559 | -1.79930033 |
| 3 | 3s | 1.070706 | 2.98977380 |
| 4 | 4s | 2.068903 | -.40535338 |
| 5 | 5s | 1.571265 | -.36868491 |
| 6 | 4s | 3.493919 | -.06573097 |
| 7 | 4s | .762813 | .00922371 |
| 8 | 5s | 19.866025 | -.00006220 |
| 9 | 3s | 46.986223 | .00000364 |
| ORB.ENERGY,a.u. | -.539720 | ||
| NORM | 1.000003 | < R > | 4.177691 | < R2 > | 19.804768 | < 1/R > | .313000 | < 1/R**2 > | .254876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 1.054935 | .12174773 |
| 2 | 1s | 4.010279 | .98793881 |
| 3 | 2s | 1.893702 | -.10824418 |
| 4 | 3s | 1.564015 | -.05095910 |
| 5 | 4s | 1.122422 | .07462066 |
| 6 | 5s | 1.207545 | -.00371536 |
| 7 | 5s | 6.033014 | -.00078437 |
| ORB.ENERGY,a.u. | -7.650800 |
| NORM | 1.000000 | < R > | .382757 | < R2 > | .257685 | < 1/R > | 4.033792 | < 1/R**2 > | 32.457903 |
Total Energy= -8.54397156 a.u.
Kinetic Energy= 8.53792393 a.u.
Potential Energy= -17.08189550 a.u.
Virial Ratio = -2.00070833