(1s 2 2s 1 3p 1 ) 1 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 3p | .331816 | -1.71057341 |
| 2 | 2p | .383049 | 1.15439573 |
| 3 | 2p | 1.645408 | .11538499 |
| 4 | 4p | 2.342234 | -.01859667 |
| 5 | 3p | 3.381978 | -.01210878 |
| ORB.ENERGY,a.u. | -.055941 | ||
| NORM | .999998 | < R > | 11.922669 | < R2 > | 168.855833 | < 1/R > | .134444 | < 1/R**2 > | .047347 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.663343 | .22441058 |
| 2 | 2s | 1.091104 | -.80835811 |
| 3 | 3s | 1.676568 | -.23644592 |
| 4 | 4s | 4.733855 | .03088464 |
| 5 | 3s | 6.276799 | .01092283 |
| 6 | 5s | .630892 | -.00820146 |
| 7 | 5s | 14.541103 | -.00046457 |
| 8 | 4s | 40.508298 | .00002045 |
| 9 | 2s | 31.378845 | .00002000 |
| 10 | 4s | .698363 | .00569530 |
| ORB.ENERGY,a.u. | -.493700 | ||
| NORM | 1.000000 | < R > | 2.316323 | < R2 > | 6.310047 | < 1/R > | .599179 | < 1/R**2 > | 1.415396 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375367 | .89184828 |
| 2 | 1s | 5.924793 | .12511612 |
| 3 | 2s | 1.219199 | .00210860 |
| 4 | 3s | 4.322522 | -.01491487 |
| 5 | 4s | 6.081637 | .00556826 |
| 6 | 5s | 9.672939 | .00184133 |
| 7 | 5s | 30.044284 | -.00005201 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415241 | < R2 > | .233423 | < 1/R > | 3.681314 | < 1/R**2 > | 27.750670 |
Total Energy= -14.34950865 a.u.
Kinetic Energy= 14.33333844 a.u.
Potential Energy= -28.68284709 a.u.
Virial Ratio = -2.00112815