(1s 1 5s 1 ) 3 S Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 9.809994 | .14048808 |
| 2 | 2s | 3.849060 | -1.96093117 |
| 3 | 3s | 2.933276 | 7.23041606 |
| 4 | 4s | 2.410514 | -19.14085276 |
| 5 | 5s | 2.552989 | 14.53787192 |
| 6 | 2s | 7.093897 | .19302972 |
| 7 | 5s | 22.996406 | .00062111 |
| 8 | 4s | 1.032399 | .00785964 |
| 9 | 5s | 1.019620 | -.00404901 |
| 10 | 2s | 21.761266 | -.00010865 |
| ORB.ENERGY,a.u. | -3.687500 | ||
| NORM | 1.000000 | < R > | 2.846357 | < R2 > | 9.073336 | < 1/R > | .523413 | < 1/R**2 > | 2.705000 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755953 | .88933739 |
| 2 | 1s | 16.405917 | .10550644 |
| 3 | 2s | 15.508938 | .01059484 |
| 4 | 3s | 14.529115 | -.00527993 |
| 5 | 4s | 15.553833 | .00006748 |
| 6 | 5s | 18.217848 | .00016719 |
| ORB.ENERGY,a.u. | -97.767000 |
| NORM | 1.000000 | < R > | .107142 | < R2 > | .015306 | < 1/R > | 14.000239 | < 1/R**2 > | 392.014512 |
Total Energy= -101.41875635 a.u.
Kinetic Energy= 101.42599793 a.u.
Potential Energy= -202.84475428 a.u.
Virial Ratio = -1.99992860