(1s 2 2s 1 4p 1 ) 1 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1141.
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 | 4p- electron | |
| 1 | 2p | 5.606740 | .48635796 |
| 2 | 3p | 3.308243 | -.95794201 |
| 3 | 5p | 2.945392 | 1.51813417 |
| 4 | 4p | 4.315716 | -.39744928 |
| 5 | 5p | 6.761328 | .07808069 |
| 6 | 4p | 13.625487 | -.01380506 |
| 7 | 5p | 31.463521 | -.00185719 |
| 8 | 4p | 52.134316 | -.00055735 |
| 9 | 3p | 1.500554 | .00456296 |
| 10 | 5p | 75.606426 | .00015443 |
| ORB.ENERGY,a.u. | -3.891300 | ||
| NORM | 1.000000 | < R > | 2.032134 | < R2 > | 4.683715 | < 1/R > | .709008 | < 1/R**2 > | 1.386732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.533638 | .41719833 |
| 2 | 2s | 5.986116 | -.79598043 |
| 3 | 3s | 7.168929 | -.30377679 |
| 4 | 5s | 12.041904 | -.02779624 |
| 5 | 4s | 24.971210 | .00606293 |
| 6 | 5s | 33.322784 | -.00135716 |
| 7 | 5s | 3.274900 | -.00063302 |
| 8 | 3s | 52.435472 | .00005613 |
| ORB.ENERGY,a.u. | -18.580000 | ||
| NORM | 1.000000 | < R > | .471839 | < R2 > | .259641 | < 1/R > | 3.121518 | < 1/R**2 > | 39.285342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.405271 | .93681798 |
| 2 | 1s | 21.466914 | .05135584 |
| 3 | 2s | 16.501392 | .01658775 |
| 4 | 3s | 7.378813 | .00070836 |
| 5 | 4s | 54.232597 | -.00055597 |
| 6 | 5s | 71.791261 | .00020666 |
| 7 | 5s | 15.626694 | .00089122 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110277 | < R2 > | .016283 | < 1/R > | 13.672540 | < 1/R**2 > | 376.302494 |
Total Energy= -210.44163633 a.u.
Kinetic Energy= 210.42657516 a.u.
Potential Energy= -420.86821150 a.u.
Virial Ratio = -2.00007157