(1s 2 3s 1 ) 2 S Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 3.536065 | .12053670 |
| 2 | 2s | .627430 | -1.98721682 |
| 3 | 3s | .725042 | 2.79629588 |
| 4 | 4s | 1.729718 | -.15247082 |
| 5 | 5s | 3.158655 | -.03914961 |
| 6 | 4s | 6.492044 | .00544731 |
| 7 | 5s | .610907 | .01184871 |
| 8 | 5s | 16.343586 | .00017282 |
| 9 | 4s | 67.246399 | -.00000381 |
| ORB.ENERGY,a.u. | -.266520 | ||
| NORM | .999998 | < R > | 5.646197 | < R2 > | 36.254760 | < 1/R > | .251481 | < 1/R**2 > | .369472 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.251634 | .75109842 |
| 2 | 1s | 5.878855 | .20626193 |
| 3 | 2s | 5.115868 | .06536412 |
| 4 | 3s | 3.369193 | -.01070780 |
| 5 | 4s | 6.593366 | .00762726 |
| 6 | 5s | 19.830283 | -.00016226 |
| 7 | 3s | 18.411869 | -.00012874 |
| ORB.ENERGY,a.u. | -5.331400 |
| NORM | 1.000000 | < R > | .414316 | < R2 > | .232065 | < 1/R > | 3.686354 | < 1/R**2 > | 27.810786 |
Total Energy= -13.87779082 a.u.
Kinetic Energy= 13.87779057 a.u.
Potential Energy= -27.75558139 a.u.
Virial Ratio = -2.00000002