(1s 2 2s 2 2p 6 3s 1 4p 1 ) 1 P Si 2+
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 | .293117 | .20245208 |
| 2 | 2p | 5.747567 | .14296598 |
| 3 | 3p | 8.364427 | -.02428051 |
| 4 | 4p | 1.912369 | -.52436821 |
| 5 | 5p | 1.049784 | 1.02187178 |
| 6 | 5p | 3.784684 | -.09844910 |
| 7 | 4p | 12.251635 | .00290965 |
| 8 | 3p | .339553 | -.14353054 |
| ORB.ENERGY,a.u. | -.402750 | ||
| NORM | 1.000000 | < R > | 5.234195 | < R2 > | 31.340361 | < 1/R > | .270964 | < 1/R**2 > | .234414 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.824393 | -.01074385 |
| 2 | 1s | 8.733653 | .13176025 |
| 3 | 1s | 15.653272 | .01562212 |
| 4 | 2s | 5.494022 | -.36033351 |
| 5 | 3s | 1.828065 | .78313854 |
| 6 | 4s | 2.694814 | .27356624 |
| 7 | 5s | 6.484035 | -.06051336 |
| 8 | 4s | 49.261908 | -.00005273 |
| 9 | 3s | .699612 | .00104034 |
| 10 | 2s | 26.179431 | -.00013101 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.899711 | < R2 > | 4.105819 | < 1/R > | .704189 | < 1/R**2 > | 2.833326 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.577987 | .43710930 |
| 2 | 3p | 5.858356 | .48534502 |
| 3 | 4p | 4.698788 | .18476734 |
| 4 | 5p | 3.658735 | .01090042 |
| 5 | 2p | 16.765221 | .00428903 |
| 6 | 5p | 33.137813 | -.00014776 |
| 7 | 4p | 104.321504 | .00000140 |
| 8 | 3p | .626836 | -.00029872 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533204 | < R2 > | .356059 | < 1/R > | 2.463283 | < 1/R**2 > | 8.560206 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.460066 | .34868929 |
| 2 | 2s | 5.549204 | -.82024167 |
| 3 | 3s | 4.642528 | -.30644370 |
| 4 | 4s | 19.731616 | .00315875 |
| 5 | 3s | 15.554648 | .00668027 |
| 6 | 2s | 2.133688 | -.00665244 |
| 7 | 5s | 37.446676 | .00020322 |
| 8 | 5s | 60.785711 | .00001007 |
| 9 | 5s | .598035 | .00000892 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562408 | < R2 > | .376469 | < 1/R > | 2.592761 | < 1/R**2 > | 27.737519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.586987 | 1.01400014 |
| 2 | 2s | 19.344231 | -.02232760 |
| 3 | 3s | 9.847808 | .01997274 |
| 4 | 4s | 54.027281 | -.00040061 |
| 5 | 4s | 10.421035 | .00284400 |
| 6 | 5s | 70.380910 | .00012560 |
| 7 | 5s | 11.815721 | -.00880927 |
| 8 | 2s | 178.678827 | .00000103 |
| 9 | 2s | 5.008436 | .00076447 |
| 10 | 5s | 2.591682 | -.00002331 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111424 | < R2 > | .016698 | < 1/R > | 13.581733 | < 1/R**2 > | 372.407853 |
Total Energy= -287.24392954 a.u.
Kinetic Energy= 287.22422611 a.u.
Potential Energy= -574.46815565 a.u.
Virial Ratio = -2.00006860