(1s 2 2s 2 2p 1 3p 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 4.269630 | .41516237 |
| 2 | 3p | 3.212249 | -1.31388381 |
| 3 | 2p | 11.834256 | .00606896 |
| 4 | 4p | 5.407461 | .05209505 |
| 5 | 5p | 17.483389 | .00129841 |
| ORB.ENERGY,a.u. | -5.123300 | ||
| NORM | 1.000000 | < R > | 1.241707 | < R2 > | 1.704733 | < 1/R > | .913523 | < 1/R**2 > | 1.085180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.494893 | 1.03817641 |
| 2 | 3p | 3.035733 | -.33349619 |
| 3 | 2p | 9.794844 | .09827441 |
| 4 | 5p | 12.776510 | .00887613 |
| 5 | 4p | 22.747947 | -.00137817 |
| 6 | 5p | 3.018062 | .02093042 |
| 7 | 3p | 20.729174 | -.00152487 |
| 8 | 4p | 2.392737 | -.00555207 |
| ORB.ENERGY,a.u. | -13.846000 | ||
| NORM | 1.000000 | < R > | .413806 | < R2 > | .235390 | < 1/R > | 3.132386 | < 1/R**2 > | 13.136430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.161341 | .36301243 |
| 2 | 2s | 5.173839 | -.80453649 |
| 3 | 3s | 7.612208 | -.28063873 |
| 4 | 4s | 26.200982 | .00142684 |
| 5 | 5s | 14.807346 | -.01106222 |
| 6 | 5s | 6.013404 | .01620438 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496381 | < R2 > | .288663 | < 1/R > | 2.949342 | < 1/R**2 > | 35.226393 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159800 | .92623188 |
| 2 | 1s | 20.318595 | .07396441 |
| 3 | 2s | 12.034042 | .01896076 |
| 4 | 3s | 14.998401 | -.01668444 |
| 5 | 4s | 72.598629 | -.00005686 |
| 6 | 5s | 32.245510 | .00093758 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110594 | < R2 > | .016392 | < 1/R > | 13.645277 | < 1/R**2 > | 375.094917 |
Total Energy= -243.67687721 a.u.
Kinetic Energy= 243.60955898 a.u.
Potential Energy= -487.28643618 a.u.
Virial Ratio = -2.00027634