(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 F Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | .325679 | 1.04499901 |
| 2 | 4d | .597644 | -.04061420 |
| 3 | 3d | 1.967658 | .00771900 |
| 4 | 4d | 1.038701 | -.01697150 |
| 5 | 5d | 1.233830 | -.00542016 |
| 6 | 3d | 5.123490 | .00064052 |
| ORB.ENERGY,a.u. | -.053788 | ||
| NORM | 1.000000 | < R > | 10.985356 | < R2 > | 137.155665 | < 1/R > | .105527 | < 1/R**2 > | .013334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.465153 | .24614222 |
| 2 | 2p | 1.029494 | -.84530810 |
| 3 | 3p | 1.605536 | -.24730435 |
| 4 | 2p | 6.967041 | .10448832 |
| 5 | 3p | 9.427183 | -.01128408 |
| 6 | 4p | .943708 | .02992752 |
| 7 | 4p | 24.377261 | -.00040890 |
| 8 | 5p | 71.439976 | -.00001293 |
| 9 | 5p | .540294 | .00334712 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.456726 | < R2 > | 7.006239 | < 1/R > | .531906 | < 1/R**2 > | .622059 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.355750 | -.16175794 |
| 2 | 1s | 9.465141 | .18710817 |
| 3 | 1s | 21.605938 | .00222960 |
| 4 | 2s | 4.212793 | -.27226023 |
| 5 | 3s | 1.729203 | .86751578 |
| 6 | 4s | 3.096777 | .14443126 |
| 7 | 5s | 1.564035 | .08366992 |
| 8 | 4s | 45.230728 | -.00005986 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093791 | < R2 > | 5.050975 | < 1/R > | .634129 | < 1/R**2 > | 2.225284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .844365 | .00011209 |
| 2 | 2p | 7.177011 | .48230528 |
| 3 | 3p | 5.436491 | .49330957 |
| 4 | 4p | 4.265648 | .12706689 |
| 5 | 5p | 2.745950 | .00338170 |
| 6 | 2p | 14.231633 | .00945153 |
| 7 | 5p | 31.545966 | -.00045772 |
| 8 | 4p | 45.422307 | -.00008184 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535265 | < R2 > | .359460 | < 1/R > | 2.456909 | < 1/R**2 > | 8.523536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399205 | .35139874 |
| 2 | 2s | 4.933976 | -.77290144 |
| 3 | 3s | 4.399406 | -.16877560 |
| 4 | 4s | 21.875969 | .00176251 |
| 5 | 2s | 6.456198 | -.18119602 |
| 6 | 3s | 14.505414 | .01039003 |
| 7 | 4s | 3.372242 | -.00407339 |
| 8 | 4s | 61.280770 | -.00002235 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562544 | < R2 > | .376651 | < 1/R > | 2.592117 | < 1/R**2 > | 27.724907 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577894 | 1.01499694 |
| 2 | 2s | 18.820759 | -.02466582 |
| 3 | 3s | 9.622256 | .02347184 |
| 4 | 4s | 48.611333 | -.00008122 |
| 5 | 4s | 27.353982 | .00097347 |
| 6 | 2s | 69.806107 | .00001919 |
| 7 | 5s | 11.890416 | -.00876365 |
| 8 | 3s | 2.583653 | .00063312 |
| 9 | 4s | 2.957798 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581441 | < 1/R**2 > | 372.394258 |
Total Energy= -288.63059982 a.u.
Kinetic Energy= 288.62690511 a.u.
Potential Energy= -577.25750493 a.u.
Virial Ratio = -2.00001280