(1s 2 5s 1 ) 2 S B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 2.612548 | .09171459 |
| 2 | 2s | .757626 | -2.26999268 |
| 3 | 3s | .730516 | 7.43776086 |
| 4 | 4s | .696106 | -8.80607687 |
| 5 | 5s | .616708 | 4.22938114 |
| 6 | 5s | 1.152792 | -.15067473 |
| 7 | 1s | 6.317366 | .01314662 |
| 8 | 4s | 16.746466 | -.00007742 |
| ORB.ENERGY,a.u. | -.194700 | ||
| NORM | 1.000008 | < R > | 11.563956 | < R2 > | 149.791178 | < 1/R > | .126445 | < 1/R**2 > | .157796 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.222844 | .73091526 |
| 2 | 1s | 7.061493 | .21866226 |
| 3 | 2s | 5.734036 | .07702683 |
| 4 | 3s | 5.507689 | -.01331671 |
| 5 | 4s | 8.525562 | .00587119 |
| 6 | 5s | 30.782616 | -.00008124 |
| 7 | 5s | 4.953965 | -.00227707 |
| ORB.ENERGY,a.u. | -8.792800 |
| NORM | 1.000000 | < R > | .324518 | < R2 > | .141914 | < 1/R > | 4.687175 | < 1/R**2 > | 44.734583 |
Total Energy= -22.18091158 a.u.
Kinetic Energy= 22.18091198 a.u.
Potential Energy= -44.36182356 a.u.
Virial Ratio = -1.99999998