(1s 1 5d 1 ) 1 D Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 2.600372 | 3.54879035 |
| 2 | 4d | 2.600200 | -8.84704116 |
| 3 | 5d | 2.599697 | 5.99357162 |
| 4 | 5d | 9.846923 | -.00024564 |
| 5 | 3d | 29.283420 | .00001008 |
| 6 | 4d | 16.346887 | -.00014791 |
| ORB.ENERGY,a.u. | -3.636800 | ||
| NORM | 1.000001 | < R > | 2.654293 | < R2 > | 7.990724 | < 1/R > | .519849 | < 1/R**2 > | .540288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755785 | .88933016 |
| 2 | 1s | 16.405716 | .10551219 |
| 3 | 2s | 15.455321 | .01066914 |
| 4 | 3s | 14.567437 | -.00528789 |
| 5 | 4s | 18.310408 | .00004473 |
| 6 | 5s | 18.971064 | .00008658 |
| ORB.ENERGY,a.u. | -97.717000 |
| NORM | 1.000000 | < R > | .107142 | < R2 > | .015306 | < 1/R > | 14.000114 | < 1/R**2 > | 392.004821 |
Total Energy= -101.38737327 a.u.
Kinetic Energy= 101.37960251 a.u.
Potential Energy= -202.76697578 a.u.
Virial Ratio = -2.00007665