(1s 1 4d 1 ) 1 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | .870067 | 1.23810615 |
| 2 | 4d | .738218 | -1.86915633 |
| 3 | 4d | 1.432363 | .03515187 |
| 4 | 5d | 1.094100 | .13932222 |
| 5 | 5d | 19.695204 | .00001602 |
| ORB.ENERGY,a.u. | -.282870 | ||
| NORM | 1.000000 | < R > | 7.003150 | < R2 > | 56.046790 | < 1/R > | .187356 | < 1/R**2 > | .056121 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917871 | .75850778 |
| 2 | 1s | 4.102183 | .25492144 |
| 3 | 2s | 3.949290 | -.01491851 |
| 4 | 3s | 3.875107 | -.00066859 |
| ORB.ENERGY,a.u. | -7.782900 |
| NORM | 1.000000 | < R > | .374985 | < R2 > | .187481 | < 1/R > | 4.000085 | < 1/R**2 > | 32.001013 |
Total Energy= -8.28320922 a.u.
Kinetic Energy= 8.28115840 a.u.
Potential Energy= -16.56436762 a.u.
Virial Ratio = -2.00024765