(1s 2 2s 2 2p 6 3s 2 3p 1 ) 2 P Si +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3.354564 | .25976319 |
| 2 | 2p | 1.077273 | -.91014024 |
| 3 | 3p | 1.534177 | -.17339836 |
| 4 | 2p | 6.843462 | .11136483 |
| 5 | 3p | 9.265489 | -.01313049 |
| 6 | 4p | 27.135299 | -.00055104 |
| 7 | 5p | 37.583179 | .00017226 |
| 8 | 5p | .823750 | .00049191 |
| ORB.ENERGY,a.u. | -.576840 | ||
| NORM | 1.000000 | < R > | 2.470116 | < R2 > | 7.098588 | < 1/R > | .529637 | < 1/R**2 > | .617129 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 6.568265 | -.09248433 |
| 2 | 1s | 9.963665 | .16471600 |
| 3 | 1s | 43.275570 | .00016463 |
| 4 | 2s | 4.614841 | -.30214613 |
| 5 | 3s | 1.604491 | .80244500 |
| 6 | 4s | 2.890173 | .24677370 |
| 7 | 5s | 1.383985 | .02218493 |
| 8 | 3s | 27.817022 | -.00066595 |
| ORB.ENERGY,a.u. | -.961360 | ||
| NORM | 1.000000 | < R > | 2.092015 | < R2 > | 5.040983 | < 1/R > | .634597 | < 1/R**2 > | 2.228678 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.112042 | .48576777 |
| 2 | 3p | 5.418983 | .48644628 |
| 3 | 4p | 4.276872 | .12635344 |
| 4 | 5p | 2.853960 | .00379547 |
| 5 | 2p | 13.251671 | .01277612 |
| 6 | 5p | 28.278081 | -.00068838 |
| 7 | 4p | 36.973738 | -.00021848 |
| 8 | 2p | 80.144603 | .00000193 |
| 9 | 4p | 1.196328 | .00016693 |
| ORB.ENERGY,a.u. | -4.476200 | ||
| NORM | 1.000000 | < R > | .535257 | < R2 > | .359448 | < 1/R > | 2.456930 | < 1/R**2 > | 8.523652 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.461094 | .34855683 |
| 2 | 2s | 4.950736 | -.76673800 |
| 3 | 3s | 4.352878 | -.17151402 |
| 4 | 3s | 18.662318 | .00561006 |
| 5 | 2s | 6.293417 | -.18275438 |
| 6 | 4s | 17.490380 | .00593192 |
| 7 | 5s | 57.107991 | -.00004626 |
| 8 | 4s | 2.929893 | -.00175150 |
| 9 | 2s | 67.375191 | .00001452 |
| 10 | 5s | 1.211072 | -.00002536 |
| ORB.ENERGY,a.u. | -6.353600 | ||
| NORM | 1.000000 | < R > | .562537 | < R2 > | .376641 | < 1/R > | 2.592146 | < 1/R**2 > | 27.725464 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577936 | 1.01499233 |
| 2 | 2s | 18.792833 | -.02463319 |
| 3 | 3s | 9.546957 | .02366825 |
| 4 | 4s | 52.047037 | -.00009063 |
| 5 | 4s | 26.479316 | .00103735 |
| 6 | 2s | 84.748344 | .00000912 |
| 7 | 5s | 11.804625 | -.00908429 |
| 8 | 3s | 4.403398 | .00017299 |
| 9 | 5s | 2.614934 | -.00000876 |
| ORB.ENERGY,a.u. | -68.392000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581446 | < 1/R**2 > | 372.394432 |
Total Energy= -288.57313353 a.u.
Kinetic Energy= 288.57311607 a.u.
Potential Energy= -577.14624960 a.u.
Virial Ratio = -2.00000006