(1s 2 2s 2 2p 4 3p 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
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 | 4.501737 | .35520597 |
| 2 | 3p | 2.313391 | -.86813467 |
| 3 | 4p | 2.907479 | -.21547459 |
| 4 | 2p | 8.510187 | .08123972 |
| 5 | 5p | 12.598080 | .00554162 |
| 6 | 5p | 33.039731 | -.00042264 |
| 7 | 4p | 49.939673 | -.00007681 |
| 8 | 5p | 2.466670 | -.01418701 |
| ORB.ENERGY,a.u. | -2.612500 | ||
| NORM | 1.000000 | < R > | 1.591809 | < R2 > | 2.899144 | < 1/R > | .847234 | < 1/R**2 > | 1.556667 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.564053 | 1.27191546 |
| 2 | 2p | 11.066309 | .06129334 |
| 3 | 3p | 5.327560 | -.33896604 |
| 4 | 4p | 13.216043 | .01461211 |
| 5 | 5p | 18.038488 | -.00082318 |
| 6 | 5p | 3.484733 | .01089443 |
| 7 | 4p | 3.298410 | -.01304797 |
| 8 | 3p | 33.631854 | .00008952 |
| ORB.ENERGY,a.u. | -8.211300 | ||
| NORM | 1.000000 | < R > | .486137 | < R2 > | .291187 | < 1/R > | 2.653066 | < 1/R**2 > | 9.742243 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.337545 | .37278700 |
| 2 | 2s | 5.737714 | -.83943807 |
| 3 | 3s | 5.174511 | -.29560112 |
| 4 | 4s | 16.298391 | .01016130 |
| 5 | 3s | 20.127039 | .00509811 |
| 6 | 5s | 28.489545 | .00088889 |
| 7 | 5s | 4.675915 | -.00699876 |
| 8 | 2s | 61.722988 | .00002010 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534781 | < R2 > | .337750 | < 1/R > | 2.727301 | < 1/R**2 > | 30.467930 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202750 | .91809768 |
| 2 | 1s | 19.501838 | .07891579 |
| 3 | 2s | 8.186432 | .01942921 |
| 4 | 3s | 10.029557 | -.01962032 |
| 5 | 4s | 12.302176 | .00951121 |
| 6 | 5s | 33.714761 | .00085638 |
| 7 | 4s | 76.493010 | -.00003917 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111190 | < R2 > | .016610 | < 1/R > | 13.599157 | < 1/R**2 > | 373.138981 |
Total Energy= -274.20396851 a.u.
Kinetic Energy= 274.22729276 a.u.
Potential Energy= -548.43126128 a.u.
Virial Ratio = -1.99991495