(1s 2 2s 1 5p 1 ) 3 P Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.663737 | 5.31088383 |
| 2 | 3p | 2.779185 | -6.12658839 |
| 3 | 4p | 2.134876 | 7.07458147 |
| 4 | 5p | 2.183691 | -7.59086597 |
| 5 | 2p | 9.198868 | .02813678 |
| 6 | 5p | 12.715651 | .00450826 |
| 7 | 4p | 26.851964 | -.00044819 |
| 8 | 5p | 1.066596 | -.00132469 |
| 9 | 5p | 80.816377 | -.00001266 |
| ORB.ENERGY,a.u. | -2.485400 | ||
| NORM | 1.000007 | < R > | 3.232919 | < R2 > | 11.765523 | < 1/R > | .452355 | < 1/R**2 > | .707968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.474979 | .42056547 |
| 2 | 2s | 6.038429 | -.79866867 |
| 3 | 3s | 7.028787 | -.30517188 |
| 4 | 5s | 12.399055 | -.02884555 |
| 5 | 4s | 25.755096 | .00576743 |
| 6 | 5s | 34.434154 | -.00148247 |
| 7 | 4s | 5.236898 | .00138647 |
| 8 | 3s | 62.719962 | .00004163 |
| 9 | 5s | 1.432768 | -.00008319 |
| ORB.ENERGY,a.u. | -18.815000 | ||
| NORM | 1.000000 | < R > | .471676 | < R2 > | .259450 | < 1/R > | 3.122724 | < 1/R**2 > | 39.311770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408994 | .93591254 |
| 2 | 1s | 21.359374 | .05205612 |
| 3 | 2s | 16.465165 | .01650329 |
| 4 | 3s | 10.035257 | .00164490 |
| 5 | 4s | 56.299181 | -.00049119 |
| 6 | 5s | 75.232693 | .00017986 |
| 7 | 5s | 6.481860 | .00009895 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110256 | < R2 > | .016276 | < 1/R > | 13.674208 | < 1/R**2 > | 376.374039 |
Total Energy= -209.01968951 a.u.
Kinetic Energy= 209.02205307 a.u.
Potential Energy= -418.04174258 a.u.
Virial Ratio = -1.99998869