(1s 2 2p 1 ) 2 P Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 1.038091 | .97164371 |
| 2 | 2p | 2.178886 | .03289495 |
| 3 | 2p | 4.355668 | .01093526 |
| 4 | 3p | 2.245172 | -.00308895 |
| 5 | 5p | 1.147101 | .00608457 |
| 6 | 3p | 12.200663 | .00003925 |
| ORB.ENERGY,a.u. | -.519570 | ||
| NORM | 1.000000 | < R > | 2.369732 | < R2 > | 6.803068 | < 1/R > | .536533 | < 1/R**2 > | .396462 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.236168 | .74975814 |
| 2 | 1s | 5.869029 | .20875892 |
| 3 | 2s | 5.068060 | .06571621 |
| 4 | 3s | 3.786863 | -.01117867 |
| 5 | 4s | 6.602230 | .00743468 |
| 6 | 5s | 24.791679 | -.00010303 |
| 7 | 5s | 2.147159 | .00059565 |
| ORB.ENERGY,a.u. | -4.959800 |
| NORM | 1.000000 | < R > | .415698 | < R2 > | .234059 | < 1/R > | 3.679357 | < 1/R**2 > | 27.733252 |
Total Energy= -14.13086001 a.u.
Kinetic Energy= 14.13086076 a.u.
Potential Energy= -28.26172077 a.u.
Virial Ratio = -1.99999995