(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 P Si 0
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 | 5p | 1.603814 | -.04822480 |
| 2 | 4p | .526167 | .70649515 |
| 3 | 5p | .310419 | -1.17468072 |
| 4 | 3p | 1.811811 | -.05734426 |
| 5 | 2p | 8.169133 | .00463479 |
| 6 | 2p | 3.655066 | .01452055 |
| 7 | 4p | 9.557340 | .00098374 |
| ORB.ENERGY,a.u. | -.039383 | ||
| NORM | .999999 | < R > | 18.365448 | < R2 > | 377.858365 | < 1/R > | .067512 | < 1/R**2 > | .008576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.456162 | .24347085 |
| 2 | 2p | 1.033999 | -.82783122 |
| 3 | 3p | 1.602125 | -.25982359 |
| 4 | 2p | 6.852678 | .10989325 |
| 5 | 3p | 8.968834 | -.01423285 |
| 6 | 4p | .291834 | -.16522371 |
| 7 | 4p | 25.034942 | -.00082601 |
| 8 | 5p | 33.676402 | .00028049 |
| 9 | 5p | .903917 | .01917431 |
| 10 | 3p | .271820 | .13341144 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.480545 | < R2 > | 7.810776 | < 1/R > | .532908 | < 1/R**2 > | .624527 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385967 | -.16452338 |
| 2 | 1s | 9.435674 | .18952275 |
| 3 | 1s | 21.418768 | .00232916 |
| 4 | 2s | 4.196105 | -.27348210 |
| 5 | 3s | 1.738049 | .87026128 |
| 6 | 4s | 3.114517 | .13830906 |
| 7 | 5s | 1.579971 | .08855479 |
| 8 | 4s | 45.739926 | -.00005708 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093412 | < R2 > | 5.048259 | < 1/R > | .634164 | < 1/R**2 > | 2.225285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177065 | .48228955 |
| 2 | 3p | 5.436496 | .49332405 |
| 3 | 4p | 4.265502 | .12707382 |
| 4 | 5p | 2.746621 | .00338200 |
| 5 | 2p | 14.231397 | .00945187 |
| 6 | 5p | 31.545310 | -.00045782 |
| 7 | 4p | 45.424428 | -.00008185 |
| 8 | 3p | .810424 | .00011285 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535271 | < R2 > | .359470 | < 1/R > | 2.456884 | < 1/R**2 > | 8.523388 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398821 | .35141231 |
| 2 | 2s | 4.934783 | -.77287294 |
| 3 | 3s | 4.398110 | -.16879258 |
| 4 | 4s | 21.977899 | .00177958 |
| 5 | 2s | 6.454189 | -.18123578 |
| 6 | 3s | 14.460928 | .01041688 |
| 7 | 4s | 3.412332 | -.00407869 |
| 8 | 4s | 61.784878 | -.00002047 |
| 9 | 5s | 1.731179 | -.00007473 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562551 | < R2 > | .376663 | < 1/R > | 2.592087 | < 1/R**2 > | 27.724309 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499716 |
| 2 | 2s | 18.820813 | -.02466608 |
| 3 | 3s | 9.622139 | .02347225 |
| 4 | 4s | 48.604206 | -.00008122 |
| 5 | 4s | 27.353617 | .00097347 |
| 6 | 2s | 69.802356 | .00001920 |
| 7 | 5s | 11.890221 | -.00876385 |
| 8 | 3s | 2.583606 | .00063301 |
| 9 | 4s | 2.957801 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581436 | < 1/R**2 > | 372.394031 |
Total Energy= -288.61183555 a.u.
Kinetic Energy= 288.61251627 a.u.
Potential Energy= -577.22435182 a.u.
Virial Ratio = -1.99999764