(1s 2 5d 1 ) 2 D Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 3d | .400623 | 3.53233396 |
| 2 | 4d | .400441 | -8.80451977 |
| 3 | 5d | .400138 | 5.96661993 |
| 4 | 3d | 3.899810 | .00029981 |
| 5 | 5d | 2.457775 | .00036218 |
| ORB.ENERGY,a.u. | -.080025 | ||
| NORM | .999994 | < R > | 17.242421 | < R2 > | 337.222081 | < 1/R > | .080068 | < 1/R**2 > | .012844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.252904 | .75176887 |
| 2 | 1s | 5.889674 | .20539629 |
| 3 | 2s | 5.123067 | .06545625 |
| 4 | 3s | 3.339219 | -.01090449 |
| 5 | 4s | 6.612618 | .00771518 |
| 6 | 5s | 22.594467 | -.00015063 |
| 7 | 4s | 34.593881 | -.00002554 |
| ORB.ENERGY,a.u. | -5.511500 |
| NORM | 1.000000 | < R > | .414144 | < R2 > | .231836 | < 1/R > | 3.687443 | < 1/R**2 > | 27.824484 |
Total Energy= -13.69184795 a.u.
Kinetic Energy= 13.69132581 a.u.
Potential Energy= -27.38317376 a.u.
Virial Ratio = -2.00003814