(1s 2 5s 1 ) 2 S Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 2.191229 | .06642861 |
| 2 | 2s | .591660 | -1.54086805 |
| 3 | 3s | .529933 | 5.28845181 |
| 4 | 4s | .478686 | -6.73536221 |
| 5 | 5s | .416472 | 3.67702924 |
| 6 | 5s | .833461 | -.22375498 |
| 7 | 1s | 5.114341 | .01186723 |
| 8 | 4s | 13.300836 | -.00006875 |
| ORB.ENERGY,a.u. | -.088934 | ||
| NORM | 1.000000 | < R > | 16.877700 | < R2 > | 319.140827 | < 1/R > | .086037 | < 1/R**2 > | .071715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.252661 | .75164945 |
| 2 | 1s | 5.888260 | .20553515 |
| 3 | 2s | 5.113332 | .06537423 |
| 4 | 3s | 3.345984 | -.01088373 |
| 5 | 4s | 6.654108 | .00770442 |
| 6 | 5s | 25.372610 | -.00008904 |
| ORB.ENERGY,a.u. | -5.510900 |
| NORM | 1.000000 | < R > | .414174 | < R2 > | .231874 | < 1/R > | 3.687250 | < 1/R**2 > | 27.822044 |
Total Energy= -13.70022915 a.u.
Kinetic Energy= 13.70023011 a.u.
Potential Energy= -27.40045926 a.u.
Virial Ratio = -1.99999993