(1s 1 4d 1 ) 3 D Si 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | 3.406251 | 1.80263145 |
| 2 | 4d | 3.240035 | -2.30810710 |
| 3 | 3d | 12.495514 | .00066931 |
| 4 | 4d | 2.645239 | .00275572 |
| 5 | 5d | 19.424490 | -.00019720 |
| ORB.ENERGY,a.u. | -5.541300 | ||
| NORM | .999999 | < R > | 1.614616 | < R2 > | 2.979660 | < 1/R > | .813171 | < 1/R**2 > | 1.058935 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.755282 | .88933967 |
| 2 | 1s | 16.405716 | .10551333 |
| 3 | 2s | 15.437078 | .01066849 |
| 4 | 3s | 14.757281 | -.00516430 |
| 5 | 4s | 24.983034 | .00001954 |
| 6 | 5s | 21.709419 | .00001084 |
| ORB.ENERGY,a.u. | -97.416000 |
| NORM | 1.000000 | < R > | .107150 | < R2 > | .015309 | < 1/R > | 13.999506 | < 1/R**2 > | 391.979423 |
Total Energy= -103.29384349 a.u.
Kinetic Energy= 103.28306112 a.u.
Potential Energy= -206.57690461 a.u.
Virial Ratio = -2.00010440