(1s 2 2s 2 2p 6 3s 1 5p 1 ) 1 P Si 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 1.385362 | .31675835 |
| 2 | 3p | 1.464586 | -.79045005 |
| 3 | 4p | .715402 | 3.89848324 |
| 4 | 5p | .728426 | -3.98033935 |
| 5 | 3p | 8.386037 | -.01051062 |
| 6 | 2p | 6.211619 | .07121839 |
| 7 | 4p | 3.263284 | -.09491565 |
| 8 | 2p | .403578 | -.13824057 |
| 9 | 4p | 25.486372 | -.00016616 |
| ORB.ENERGY,a.u. | -.238690 | ||
| NORM | 1.000007 | < R > | 9.094142 | < R2 > | 93.439730 | < 1/R > | .159071 | < 1/R**2 > | .104634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.005136 | -.03430277 |
| 2 | 1s | 8.216590 | .13952342 |
| 3 | 1s | 16.292305 | .01472051 |
| 4 | 2s | 5.717848 | -.36142381 |
| 5 | 3s | 1.833262 | .75263719 |
| 6 | 4s | 2.679640 | .32991234 |
| 7 | 5s | 6.621504 | -.06512072 |
| 8 | 4s | 16.416063 | -.00037712 |
| 9 | 3s | 37.035171 | -.00007702 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.881602 | < R2 > | 4.021825 | < 1/R > | .710936 | < 1/R**2 > | 2.888922 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.582202 | .43694159 |
| 2 | 3p | 5.861060 | .48537557 |
| 3 | 4p | 4.709043 | .18415458 |
| 4 | 5p | 3.739732 | .01156846 |
| 5 | 2p | 16.852961 | .00419365 |
| 6 | 5p | 32.797295 | -.00014491 |
| 7 | 4p | 96.713969 | .00000173 |
| 8 | 3p | .380312 | .00018837 |
| 9 | 5p | 1.036469 | -.00012598 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .533016 | < R2 > | .355758 | < 1/R > | 2.463884 | < 1/R**2 > | 8.563685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.461317 | .34873867 |
| 2 | 2s | 5.547744 | -.82031051 |
| 3 | 3s | 4.644852 | -.30602489 |
| 4 | 4s | 19.189838 | .00389271 |
| 5 | 3s | 16.072781 | .00567310 |
| 6 | 2s | 2.200527 | -.00645946 |
| 7 | 5s | 37.741455 | .00026431 |
| 8 | 5s | 69.613766 | .00001350 |
| 9 | 5s | 1.125067 | -.00003423 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562198 | < R2 > | .376134 | < 1/R > | 2.593594 | < 1/R**2 > | 27.753454 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587072 | 1.01399912 |
| 2 | 2s | 19.342740 | -.02232351 |
| 3 | 3s | 9.851738 | .01995856 |
| 4 | 4s | 54.354073 | -.00040293 |
| 5 | 4s | 10.389609 | .00285159 |
| 6 | 5s | 71.187673 | .00012780 |
| 7 | 5s | 11.810725 | -.00881067 |
| 8 | 2s | 177.272741 | .00000098 |
| 9 | 2s | 4.995425 | .00076494 |
| 10 | 5s | 2.409878 | -.00001306 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111422 | < R2 > | .016698 | < 1/R > | 13.581859 | < 1/R**2 > | 372.413153 |
Total Energy= -287.06700773 a.u.
Kinetic Energy= 287.06015390 a.u.
Potential Energy= -574.12716163 a.u.
Virial Ratio = -2.00002388