(1s 1 5s 1 ) 1 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 1.583799 | .21100577 |
| 2 | 2s | .871069 | -4.01640336 |
| 3 | 3s | .998491 | 7.72138005 |
| 4 | 4s | .753337 | -14.50774966 |
| 5 | 5s | .795104 | 11.70325942 |
| 6 | 2s | 3.593732 | .02353892 |
| 7 | 5s | 9.661351 | .00092847 |
| 8 | 2s | 8.378678 | -.00118162 |
| ORB.ENERGY,a.u. | -.334290 | ||
| NORM | 1.000011 | < R > | 9.083902 | < R2 > | 92.437819 | < 1/R > | .153710 | < 1/R**2 > | .108767 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .324264 | .46023349 |
| 2 | 1s | 5.009334 | .99139834 |
| 3 | 2s | 1.651922 | -.14451919 |
| 4 | 3s | .672209 | -.45583461 |
| 5 | 4s | 3.352213 | .01261415 |
| 6 | 5s | .549934 | -.17976798 |
| 7 | 5s | 4.956251 | -.00149086 |
| 8 | 4s | .552127 | .21884222 |
| 9 | 3s | .156402 | -.00077964 |
| ORB.ENERGY,a.u. | -12.334000 |
| NORM | 1.000000 | < R > | .305349 | < R2 > | .187650 | < 1/R > | 5.008917 | < 1/R**2 > | 50.153637 |
Total Energy= -12.83230580 a.u.
Kinetic Energy= 12.83007335 a.u.
Potential Energy= -25.66237915 a.u.
Virial Ratio = -2.00017400