(1s 2 2s 2 2p 6 3s 1 3d 1 ) 1 D Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 4d | 2.749238 | -.06870710 |
| 2 | 5d | 5.090602 | -.00712713 |
| 3 | 3d | 6.869628 | .00365530 |
| 4 | 3d | .973887 | 1.14062441 |
| 5 | 4d | 1.009757 | -.20184343 |
| 6 | 3d | 2.389867 | .16407038 |
| ORB.ENERGY,a.u. | -.511180 | ||
| NORM | 1.000000 | < R > | 3.278188 | < R2 > | 12.515342 | < 1/R > | .368091 | < 1/R**2 > | .172931 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .944021 | -.05528671 |
| 2 | 1s | 8.177214 | .14216123 |
| 3 | 1s | 16.416663 | .01403587 |
| 4 | 2s | 5.785531 | -.35396262 |
| 5 | 3s | 1.774754 | .73383442 |
| 6 | 4s | 2.742413 | .36630055 |
| 7 | 5s | 6.662669 | -.06284761 |
| 8 | 4s | 58.623313 | -.00002807 |
| 9 | 2s | .707268 | .00213376 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.893924 | < R2 > | 4.082882 | < 1/R > | .707630 | < 1/R**2 > | 2.871400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.580721 | .43688823 |
| 2 | 3p | 5.856489 | .48673974 |
| 3 | 4p | 4.680616 | .18475792 |
| 4 | 5p | 3.567443 | .00972049 |
| 5 | 2p | 16.716880 | .00431132 |
| 6 | 5p | 33.155040 | -.00016083 |
| 7 | 4p | 116.756895 | .00000134 |
| 8 | 3p | .971588 | .00011230 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533163 | < R2 > | .356063 | < 1/R > | 2.463679 | < 1/R**2 > | 8.563123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.460890 | .34868983 |
| 2 | 2s | 5.550191 | -.81914133 |
| 3 | 3s | 4.649391 | -.30585296 |
| 4 | 4s | 18.653128 | .00485307 |
| 5 | 3s | 16.970211 | .00462196 |
| 6 | 2s | 2.172686 | -.00814489 |
| 7 | 5s | 37.144072 | .00031713 |
| 8 | 5s | 68.950157 | .00001826 |
| 9 | 5s | 1.743090 | -.00023810 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562433 | < R2 > | .376574 | < 1/R > | 2.592957 | < 1/R**2 > | 27.742964 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587197 | 1.01399593 |
| 2 | 2s | 19.340059 | -.02231942 |
| 3 | 3s | 9.857310 | .01994292 |
| 4 | 4s | 54.413616 | -.00040384 |
| 5 | 4s | 10.374994 | .00285701 |
| 6 | 5s | 71.173825 | .00012824 |
| 7 | 5s | 11.813597 | -.00880764 |
| 8 | 2s | 186.281909 | .00000090 |
| 9 | 2s | 4.990905 | .00076657 |
| 10 | 5s | 1.700187 | -.00000530 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.582026 | < 1/R**2 > | 372.420285 |
Total Energy= -287.48051288 a.u.
Kinetic Energy= 287.33278022 a.u.
Potential Energy= -574.81329310 a.u.
Virial Ratio = -2.00051415