(1s 1 4d 1 ) 3 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | .918049 | 1.18589458 |
| 2 | 4d | .738557 | -1.84118097 |
| 3 | 5d | 1.041371 | .22667762 |
| 4 | 4d | 2.065727 | -.01737570 |
| 5 | 5d | 11.097062 | .00001885 |
| 6 | 4d | 3.667192 | -.00169798 |
| ORB.ENERGY,a.u. | -.283140 | ||
| NORM | .999999 | < R > | 6.993700 | < R2 > | 55.908961 | < 1/R > | .187808 | < 1/R**2 > | .056547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917823 | .75846804 |
| 2 | 1s | 4.102333 | .25490186 |
| 3 | 2s | 3.947329 | -.01491268 |
| 4 | 3s | 3.919256 | -.00066237 |
| 5 | 4s | 3.354504 | .00016499 |
| ORB.ENERGY,a.u. | -7.783100 |
| NORM | 1.000000 | < R > | .375033 | < R2 > | .187544 | < 1/R > | 3.999813 | < 1/R**2 > | 31.997793 |
Total Energy= -8.28324010 a.u.
Kinetic Energy= 8.28142876 a.u.
Potential Energy= -16.56466886 a.u.
Virial Ratio = -2.00021872