(1s 2 2s 2 2p 1 ) 2 P Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 5.732310 | .97737808 |
| 2 | 2p | 10.637076 | .02997820 |
| 3 | 2p | 17.152973 | .00515622 |
| 4 | 3p | 5.423991 | .02643026 |
| 5 | 4p | 8.438603 | -.03004396 |
| 6 | 5p | 33.441821 | -.00021993 |
| 7 | 5p | 5.579727 | .00243064 |
| ORB.ENERGY,a.u. | -14.746000 | ||
| NORM | 1.000000 | < R > | .430964 | < R2 > | .224950 | < 1/R > | 2.935550 | < 1/R**2 > | 11.676262 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.109818 | .36716705 |
| 2 | 2s | 5.244232 | -.80419056 |
| 3 | 3s | 7.465423 | -.28646317 |
| 4 | 4s | 5.297498 | .02109930 |
| 5 | 5s | 14.990334 | -.01291213 |
| 6 | 4s | 26.728300 | .00116029 |
| ORB.ENERGY,a.u. | -15.382000 | ||
| NORM | 1.000000 | < R > | .493865 | < R2 > | .285467 | < 1/R > | 2.964311 | < 1/R**2 > | 35.553477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.144950 | .92531943 |
| 2 | 1s | 20.222361 | .07594516 |
| 3 | 2s | 11.067281 | .02204405 |
| 4 | 3s | 16.171286 | -.01524360 |
| 5 | 5s | 33.852573 | .00114019 |
| 6 | 4s | 14.090918 | -.00692477 |
| 7 | 4s | 88.466097 | -.00002704 |
| ORB.ENERGY,a.u. | -81.938000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649379 | < 1/R**2 > | 375.273172 |
Total Energy= -238.55760369 a.u.
Kinetic Energy= 238.55760478 a.u.
Potential Energy= -477.11520847 a.u.
Virial Ratio = -2.00000000