(1s 2 2s 1 3d 1 ) 3 D Be 0
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 | .339252 | .96821875 |
| 2 | 4d | .702320 | .02782620 |
| 3 | 3d | 1.073401 | .02644450 |
| 4 | 5d | 3.521250 | -.00045850 |
| ORB.ENERGY,a.u. | -.056745 | ||
| NORM | 1.000000 | < R > | 10.098841 | < R2 > | 117.441748 | < 1/R > | .117035 | < 1/R**2 > | .016820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.671181 | .22574599 |
| 2 | 2s | 1.069665 | -.79154304 |
| 3 | 3s | 1.715452 | -.27177369 |
| 4 | 4s | 4.502775 | .02141938 |
| 5 | 3s | 5.080991 | .01579820 |
| 6 | 5s | .884102 | -.05648358 |
| 7 | 5s | 16.775524 | -.00013175 |
| 8 | 3s | 45.663064 | .00000674 |
| 9 | 4s | .818930 | .07937746 |
| ORB.ENERGY,a.u. | -.500640 | ||
| NORM | 1.000000 | < R > | 2.289740 | < R2 > | 6.150576 | < 1/R > | .605300 | < 1/R**2 > | 1.439926 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374437 | .89207567 |
| 2 | 1s | 5.924758 | .12530726 |
| 3 | 2s | 1.239709 | .00130078 |
| 4 | 3s | 4.264667 | -.01488289 |
| 5 | 4s | 6.001220 | .00508218 |
| 6 | 5s | 9.535513 | .00198354 |
| 7 | 5s | 29.470979 | -.00005862 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414985 | < R2 > | .233020 | < 1/R > | 3.682492 | < 1/R**2 > | 27.763484 |
Total Energy= -14.33909876 a.u.
Kinetic Energy= 14.33413921 a.u.
Potential Energy= -28.67323798 a.u.
Virial Ratio = -2.00034600