(1s 2 2s 2 2p 5 4p 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 6.262991 | .16569947 |
| 2 | 3p | 1.080376 | 1.92863449 |
| 3 | 4p | 2.258017 | -1.23772077 |
| 4 | 5p | 4.194261 | -.15196857 |
| 5 | 3p | 9.702525 | -.00959196 |
| 6 | 5p | 1.052335 | -.41746889 |
| 7 | 4p | .735675 | .21011336 |
| 8 | 5p | 32.537930 | -.00011340 |
| 9 | 3p | .332201 | -.13631564 |
| 10 | 2p | 39.295736 | .00001385 |
| 11 | 5p | .421957 | .08668209 |
| ORB.ENERGY,a.u. | -.974260 | ||
| NORM | 1.000001 | < R > | 3.680352 | < R2 > | 15.316568 | < 1/R > | .378659 | < 1/R**2 > | .427845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.346447 | 1.25982906 |
| 2 | 3p | 5.142320 | -.34416971 |
| 3 | 2p | 10.435960 | .08056671 |
| 4 | 5p | 76.490994 | .00001265 |
| 5 | 4p | 12.408537 | .01570541 |
| 6 | 5p | 2.269173 | .00040475 |
| ORB.ENERGY,a.u. | -7.092200 | ||
| NORM | 1.000000 | < R > | .506912 | < R2 > | .318519 | < 1/R > | 2.563339 | < 1/R**2 > | 9.170740 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.403179 | .36072964 |
| 2 | 2s | 5.636264 | -.82945351 |
| 3 | 3s | 4.910434 | -.30149585 |
| 4 | 4s | 17.860583 | .00449652 |
| 5 | 3s | 16.361202 | .00661793 |
| 6 | 5s | 35.462236 | .00033646 |
| 7 | 5s | 4.644473 | -.00384904 |
| 8 | 4s | 1.656108 | .00016988 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547418 | < R2 > | .354925 | < 1/R > | 2.662507 | < 1/R**2 > | 29.132766 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199305 | .91834172 |
| 2 | 1s | 19.515322 | .07855301 |
| 3 | 2s | 7.786649 | .02031469 |
| 4 | 3s | 9.773576 | -.02094212 |
| 5 | 4s | 12.327650 | .01067314 |
| 6 | 5s | 33.186128 | .00087398 |
| 7 | 4s | 77.862531 | -.00004318 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111313 | < R2 > | .016656 | < 1/R > | 13.589974 | < 1/R**2 > | 372.754140 |
Total Energy= -280.08037512 a.u.
Kinetic Energy= 280.07596149 a.u.
Potential Energy= -560.15633661 a.u.
Virial Ratio = -2.00001576