(1s 1 4s 1 ) 3 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 8.272795 | .25410699 |
| 2 | 2s | 4.381847 | -1.49442078 |
| 3 | 3s | 3.030891 | 6.13544521 |
| 4 | 4s | 3.214756 | -5.88064391 |
| 5 | 5s | 4.750943 | .28865908 |
| 6 | 4s | 8.273369 | -.06088651 |
| 7 | 5s | 52.108434 | -.00005381 |
| ORB.ENERGY,a.u. | -5.638500 | ||
| NORM | 1.000000 | < R > | 1.815563 | < R2 > | 3.707825 | < 1/R > | .819191 | < 1/R**2 > | 5.306509 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.756289 | .88933666 |
| 2 | 1s | 16.405716 | .10550492 |
| 3 | 2s | 15.573948 | .01051028 |
| 4 | 3s | 14.445436 | -.00529573 |
| 5 | 4s | 14.638376 | .00009133 |
| 6 | 5s | 17.866961 | .00028328 |
| ORB.ENERGY,a.u. | -97.514000 |
| NORM | 1.000000 | < R > | .107141 | < R2 > | .015306 | < 1/R > | 14.000508 | < 1/R**2 > | 392.030197 |
Total Energy= -103.35758258 a.u.
Kinetic Energy= 103.37208918 a.u.
Potential Energy= -206.72967176 a.u.
Virial Ratio = -1.99985967