(1s 1 3d 1 ) 3 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 1.023200 | .92639257 |
| 2 | 4d | 1.007966 | .07850088 |
| 3 | 5d | 5.341674 | -.00052365 |
| 4 | 3d | 3.486976 | .00159692 |
| ORB.ENERGY,a.u. | -.502030 | ||
| NORM | 1.000000 | < R > | 3.495867 | < R2 > | 13.970614 | < 1/R > | .333891 | < 1/R**2 > | .133919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917728 | .75850641 |
| 2 | 1s | 4.102233 | .25487118 |
| 3 | 2s | 3.952532 | -.01490650 |
| 4 | 3s | 4.036108 | -.00064602 |
| 5 | 4s | 2.876703 | .00021043 |
| ORB.ENERGY,a.u. | -7.613100 |
| NORM | 1.000000 | < R > | .375060 | < R2 > | .187583 | < 1/R > | 3.999659 | < 1/R**2 > | 31.996002 |
Total Energy= -8.50382950 a.u.
Kinetic Energy= 8.50031620 a.u.
Potential Energy= -17.00414570 a.u.
Virial Ratio = -2.00041331