(1s 1 5s 1 ) 1 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 3.509191 | .04089592 |
| 2 | 2s | .557341 | -5.13897980 |
| 3 | 3s | .738875 | 8.40250011 |
| 4 | 4s | .558047 | -14.54166702 |
| 5 | 5s | .597200 | 12.47384002 |
| 6 | 2s | 2.518221 | .10047618 |
| 7 | 5s | 8.305184 | .00182118 |
| 8 | 5s | .423255 | .02881692 |
| 9 | 3s | 21.310039 | -.00007979 |
| ORB.ENERGY,a.u. | -.189170 | ||
| NORM | .999953 | < R > | 11.997267 | < R2 > | 161.240359 | < 1/R > | .116067 | < 1/R**2 > | .059393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.007605 | .99175158 |
| 2 | 1s | .240534 | .47605413 |
| 3 | 2s | 1.262255 | -.14563274 |
| 4 | 3s | .553479 | -.36966333 |
| 5 | 4s | 2.477325 | .01434435 |
| 6 | 5s | .377758 | -.07208900 |
| 7 | 5s | 3.518841 | -.00078631 |
| ORB.ENERGY,a.u. | -7.869200 |
| NORM | 1.000000 | < R > | .381169 | < R2 > | .290668 | < 1/R > | 4.006564 | < 1/R**2 > | 32.089080 |
Total Energy= -8.18894417 a.u.
Kinetic Energy= 8.18744998 a.u.
Potential Energy= -16.37639415 a.u.
Virial Ratio = -2.00018250