(1s 2 2s 1 5d 1 ) 3 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 19.145224 | .00025363 |
| 2 | 3d | 2.171811 | 3.57556996 |
| 3 | 4d | 2.201690 | -9.08145964 |
| 4 | 5d | 2.220536 | 6.14125344 |
| 5 | 3d | 4.817520 | .03141537 |
| 6 | 5d | 27.913808 | .00006044 |
| 7 | 5d | 1.894072 | .02962025 |
| 8 | 4d | 10.418194 | .00328889 |
| ORB.ENERGY,a.u. | -2.446400 | ||
| NORM | 1.000000 | < R > | 3.101228 | < R2 > | 10.909333 | < 1/R > | .446067 | < 1/R**2 > | .402952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.469844 | .42087973 |
| 2 | 2s | 6.021035 | -.80363015 |
| 3 | 3s | 7.122345 | -.30527870 |
| 4 | 5s | 12.146092 | -.02310140 |
| 5 | 4s | 24.054890 | .00773485 |
| 6 | 5s | 31.580506 | -.00205135 |
| 7 | 4s | 82.069770 | .00002820 |
| ORB.ENERGY,a.u. | -18.796000 | ||
| NORM | 1.000000 | < R > | .471587 | < R2 > | .259348 | < 1/R > | 3.123163 | < 1/R**2 > | 39.318463 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409299 | .93611290 |
| 2 | 1s | 21.387681 | .05187476 |
| 3 | 2s | 16.519407 | .01651950 |
| 4 | 3s | 9.855324 | .00159035 |
| 5 | 4s | 56.391482 | -.00049324 |
| 6 | 5s | 75.443497 | .00018069 |
| 7 | 5s | 6.705132 | .00010127 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110245 | < R2 > | .016272 | < 1/R > | 13.675254 | < 1/R**2 > | 376.420635 |
Total Energy= -209.02884772 a.u.
Kinetic Energy= 208.98414163 a.u.
Potential Energy= -418.01298935 a.u.
Virial Ratio = -2.00021392