(1s 1 3p 1 ) 3 P Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2p | 1.317198 | .87926765 |
| 2 | 3p | .934770 | -1.62441177 |
| 3 | 2p | 3.864095 | .01497324 |
| 4 | 4p | .840565 | .18447427 |
| 5 | 3p | .562709 | .08575673 |
| 6 | 5p | 15.140452 | .00015094 |
| 7 | 5p | .727146 | -.07481492 |
| 8 | 3p | 18.294261 | .00003763 |
| ORB.ENERGY,a.u. | -.515310 | ||
| NORM | 1.000000 | < R > | 4.046009 | < R2 > | 18.886642 | < 1/R > | .346783 | < 1/R**2 > | .249513 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.907747 | .75887224 |
| 2 | 1s | 4.102607 | .25567386 |
| 3 | 2s | 4.308981 | -.01446583 |
| 4 | 3s | 5.118267 | -.00178130 |
| 5 | 4s | 10.892509 | .00004045 |
| 6 | 5s | 1.820303 | -.00046667 |
| ORB.ENERGY,a.u. | -7.626400 |
| NORM | 1.000000 | < R > | .375950 | < R2 > | .188595 | < 1/R > | 3.992920 | < 1/R**2 > | 31.909220 |
Total Energy= -8.50826415 a.u.
Kinetic Energy= 8.51357110 a.u.
Potential Energy= -17.02183525 a.u.
Virial Ratio = -1.99937665