(1s 2 4d 1 ) 2 D Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .504807 | 2.05422877 |
| 2 | 4d | .500287 | -2.57231870 |
| 3 | 5d | 6.848199 | .00019139 |
| 4 | 4d | 11.384939 | .00004514 |
| 5 | 3d | 1.991059 | .00047423 |
| 6 | 5d | .446907 | -.00210814 |
| ORB.ENERGY,a.u. | -.125040 | ||
| NORM | .999998 | < R > | 10.494967 | < R2 > | 125.892577 | < 1/R > | .125116 | < 1/R**2 > | .025080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.253970 | .75162219 |
| 2 | 1s | 5.880987 | .20575106 |
| 3 | 2s | 5.121488 | .06531852 |
| 4 | 3s | 3.363517 | -.01101158 |
| 5 | 4s | 6.517182 | .00786954 |
| 6 | 5s | 20.345587 | -.00020572 |
| 7 | 3s | 20.466365 | -.00011319 |
| ORB.ENERGY,a.u. | -5.455200 |
| NORM | 1.000000 | < R > | .414147 | < R2 > | .231841 | < 1/R > | 3.687432 | < 1/R**2 > | 27.824353 |
Total Energy= -13.73718492 a.u.
Kinetic Energy= 13.73634199 a.u.
Potential Energy= -27.47352692 a.u.
Virial Ratio = -2.00006137