(1s 2 2s 2 2p 6 3s 1 5p 1 ) 3 P Si 2+
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 | 2p | 4.438313 | .11455643 |
| 2 | 2p | 11.809328 | .00478347 |
| 3 | 3p | 1.505750 | -.70581779 |
| 4 | 5p | .975023 | 1.51365322 |
| 5 | 4p | .667832 | -4.36103032 |
| 6 | 3p | .637455 | 2.84123809 |
| 7 | 4p | 7.243089 | -.02016353 |
| 8 | 5p | 39.904476 | -.00002180 |
| 9 | 5p | .339195 | .00109503 |
| ORB.ENERGY,a.u. | -.246360 | ||
| NORM | 1.000006 | < R > | 8.883360 | < R2 > | 88.535977 | < 1/R > | .156201 | < 1/R**2 > | .093111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 4s | 58.555635 | -.00002849 |
| 2 | 1s | 1.059643 | -.06084666 |
| 3 | 1s | 8.163906 | .14436128 |
| 4 | 1s | 16.424610 | .01411285 |
| 5 | 2s | 5.790696 | -.35484005 |
| 6 | 3s | 1.825580 | .73178786 |
| 7 | 4s | 2.697510 | .37080788 |
| 8 | 5s | 6.668957 | -.06350990 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.873780 | < R2 > | 3.987266 | < 1/R > | .714118 | < 1/R**2 > | 2.915914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.579814 | .43713577 |
| 2 | 3p | 5.859268 | .48547547 |
| 3 | 4p | 4.702711 | .18432335 |
| 4 | 5p | 3.712526 | .01096947 |
| 5 | 2p | 16.821751 | .00423563 |
| 6 | 5p | 33.082613 | -.00014312 |
| 7 | 4p | 97.882640 | .00000140 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533006 | < R2 > | .355738 | < 1/R > | 2.463909 | < 1/R**2 > | 8.563807 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.459658 | .34883994 |
| 2 | 2s | 5.549003 | -.82101629 |
| 3 | 3s | 4.641551 | -.30666761 |
| 4 | 4s | 19.979633 | .00302929 |
| 5 | 3s | 15.484173 | .00689313 |
| 6 | 2s | 2.047670 | -.00573026 |
| 7 | 5s | 38.920974 | .00015707 |
| 8 | 5s | 61.424900 | .00000209 |
| 9 | 5s | 2.507748 | .00034068 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562142 | < R2 > | .376039 | < 1/R > | 2.593788 | < 1/R**2 > | 27.757058 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587090 | 1.01399841 |
| 2 | 2s | 19.342357 | -.02232256 |
| 3 | 3s | 9.852796 | .01995545 |
| 4 | 4s | 54.365225 | -.00040308 |
| 5 | 4s | 10.388577 | .00285188 |
| 6 | 5s | 71.186631 | .00012785 |
| 7 | 5s | 11.810865 | -.00881045 |
| 8 | 2s | 178.990041 | .00000097 |
| 9 | 2s | 4.988070 | .00076638 |
| 10 | 5s | 1.853306 | -.00000444 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111422 | < R2 > | .016698 | < 1/R > | 13.581882 | < 1/R**2 > | 372.414097 |
Total Energy= -287.06616151 a.u.
Kinetic Energy= 287.06779455 a.u.
Potential Energy= -574.13395606 a.u.
Virial Ratio = -1.99999431