(1s 2 2s 2 2p 6 3s 2 3p 1 4s 1 ) 3 P Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 11.047743 | .02708962 |
| 2 | 2s | 5.139214 | -.09303994 |
| 3 | 3s | 1.711772 | .17941246 |
| 4 | 4s | .597465 | -1.98460656 |
| 5 | 5s | .677603 | .97251876 |
| 6 | 5s | 11.097900 | -.00224028 |
| 7 | 4s | 5.078869 | -.03955587 |
| 8 | 3s | 19.049434 | .00049533 |
| 9 | 2s | 1.552381 | .14704707 |
| 10 | 4s | 42.034190 | -.00003654 |
| ORB.ENERGY,a.u. | -.109850 | ||
| NORM | 1.000000 | < R > | 7.050842 | < R2 > | 56.178937 | < 1/R > | .177562 | < 1/R**2 > | .181028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.165495 | .49044378 |
| 2 | 2p | 1.112983 | -1.09142688 |
| 3 | 3p | 3.983441 | -.15379438 |
| 4 | 2p | 8.072611 | .05565144 |
| 5 | 3p | 13.916424 | -.00218564 |
| 6 | 4p | .867337 | -.04421580 |
| 7 | 5p | .390515 | -.00040273 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.524022 | < R2 > | 7.477294 | < 1/R > | .520863 | < 1/R**2 > | .598616 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.297875 | 1.59580327 |
| 2 | 1s | 14.801947 | .02296400 |
| 3 | 2s | 4.936838 | -.92094017 |
| 4 | 3s | .847339 | .02111340 |
| 5 | 4s | 3.975425 | -.41540976 |
| 6 | 5s | 6.450505 | -.11406300 |
| 7 | 4s | 1.699552 | .26330799 |
| 8 | 3s | 47.884969 | -.00012408 |
| 9 | 4s | 75.992179 | .00003903 |
| 10 | 5s | .446904 | .00079832 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.096288 | < R2 > | 5.070085 | < 1/R > | .633907 | < 1/R**2 > | 2.225259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177529 | .48216433 |
| 2 | 3p | 5.436563 | .49344947 |
| 3 | 4p | 4.263278 | .12714924 |
| 4 | 5p | 2.747305 | .00339334 |
| 5 | 2p | 14.229857 | .00945224 |
| 6 | 5p | 31.546581 | -.00045927 |
| 7 | 4p | 45.470895 | -.00008189 |
| 8 | 3p | .743823 | .00005585 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535340 | < R2 > | .359580 | < 1/R > | 2.456666 | < 1/R**2 > | 8.522131 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398847 | .35143215 |
| 2 | 2s | 4.935157 | -.77287306 |
| 3 | 3s | 4.397947 | -.16879789 |
| 4 | 4s | 21.939480 | .00177781 |
| 5 | 2s | 6.453381 | -.18124207 |
| 6 | 3s | 14.473978 | .01040442 |
| 7 | 4s | 3.403570 | -.00406412 |
| 8 | 4s | 61.949119 | -.00002095 |
| 9 | 5s | 1.480397 | -.00007031 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562523 | < R2 > | .376623 | < 1/R > | 2.592235 | < 1/R**2 > | 27.727380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577907 | 1.01499661 |
| 2 | 2s | 18.820257 | -.02466541 |
| 3 | 3s | 9.622935 | .02346961 |
| 4 | 4s | 48.670742 | -.00008128 |
| 5 | 4s | 27.360728 | .00097341 |
| 6 | 2s | 69.875175 | .00001910 |
| 7 | 5s | 11.891675 | -.00876243 |
| 8 | 3s | 2.582766 | .00063411 |
| 9 | 4s | 2.957136 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111426 | < R2 > | .016699 | < 1/R > | 13.581464 | < 1/R**2 > | 372.395097 |
Total Energy= -288.68088281 a.u.
Kinetic Energy= 288.68278562 a.u.
Potential Energy= -577.36366843 a.u.
Virial Ratio = -1.99999341