(1s 2 2s 2 2p 6 3s 1 3p 1 ) 3 P Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 7.355045 | .14068840 |
| 2 | 3p | 4.283387 | .14456576 |
| 3 | 3p | 1.798077 | -.82734138 |
| 4 | 4p | 8.101357 | .06533257 |
| 5 | 4p | 1.562502 | -.25124112 |
| 6 | 5p | 10.089777 | -.01744269 |
| ORB.ENERGY,a.u. | -.978020 | ||
| NORM | 1.000000 | < R > | 2.206525 | < R2 > | 5.591365 | < 1/R > | .593468 | < 1/R**2 > | .775947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 13.066470 | -.00596467 |
| 2 | 1s | 7.710465 | .15414155 |
| 3 | 1s | 16.143685 | .01487694 |
| 4 | 2s | 6.177240 | -.33575901 |
| 5 | 3s | 1.744309 | .77686587 |
| 6 | 4s | 2.696194 | .27579775 |
| 7 | 5s | 6.503762 | -.07263295 |
| 8 | 4s | 7.132328 | -.03392125 |
| 9 | 3s | 41.264000 | -.00005664 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.956949 | < R2 > | 4.363743 | < 1/R > | .679462 | < 1/R**2 > | 2.596466 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.588784 | .43530966 |
| 2 | 3p | 5.856840 | .48782644 |
| 3 | 4p | 4.679152 | .18510302 |
| 4 | 5p | 3.559201 | .01072872 |
| 5 | 2p | 16.764779 | .00423807 |
| 6 | 5p | 33.007382 | -.00016016 |
| 7 | 4p | 114.031377 | .00000139 |
| 8 | 3p | 1.011142 | .00011503 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533984 | < R2 > | .357308 | < 1/R > | 2.460739 | < 1/R**2 > | 8.545337 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.466004 | .34814662 |
| 2 | 2s | 5.542845 | -.82035951 |
| 3 | 3s | 4.638800 | -.30585481 |
| 4 | 4s | 19.640820 | .00321249 |
| 5 | 3s | 15.733425 | .00653574 |
| 6 | 2s | 1.598529 | -.01069556 |
| 7 | 5s | 38.678346 | .00017144 |
| 8 | 4s | 2.069026 | .00485866 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562817 | < R2 > | .377039 | < 1/R > | 2.590781 | < 1/R**2 > | 27.697559 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.586727 | 1.01400046 |
| 2 | 2s | 19.349800 | -.02233978 |
| 3 | 3s | 9.830655 | .02003555 |
| 4 | 4s | 53.712706 | -.00039038 |
| 5 | 4s | 10.580958 | .00277613 |
| 6 | 5s | 69.898654 | .00011854 |
| 7 | 5s | 11.831248 | -.00879017 |
| 8 | 2s | 164.852245 | .00000128 |
| 9 | 2s | 4.982760 | .00077262 |
| 10 | 4s | 2.186200 | .00000741 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111429 | < R2 > | .016700 | < 1/R > | 13.581291 | < 1/R**2 > | 372.389094 |
Total Energy= -287.75096684 a.u.
Kinetic Energy= 287.79948301 a.u.
Potential Energy= -575.55044985 a.u.
Virial Ratio = -1.99983142