(1s 1 5d 1 ) 3 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 5d | .600331 | 6.00402138 |
| 2 | 3d | .599897 | 3.55165843 |
| 3 | 4d | .600200 | -8.86123561 |
| 4 | 3d | 4.102347 | .00059653 |
| 5 | 5d | 2.803622 | .00078057 |
| ORB.ENERGY,a.u. | -.181810 | ||
| NORM | .999998 | < R > | 11.491430 | < R2 > | 149.789567 | < 1/R > | .120176 | < 1/R**2 > | .028960 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917680 | .75852057 |
| 2 | 1s | 4.102233 | .25491639 |
| 3 | 2s | 3.952211 | -.01491376 |
| 4 | 3s | 4.165295 | -.00063186 |
| ORB.ENERGY,a.u. | -7.861800 |
| NORM | 1.000000 | < R > | .375018 | < R2 > | .187524 | < 1/R > | 3.999894 | < 1/R**2 > | 31.998753 |
Total Energy= -8.18119902 a.u.
Kinetic Energy= 8.18010487 a.u.
Potential Energy= -16.36130390 a.u.
Virial Ratio = -2.00013376