(1s 2 2s 2 2p 5 3s 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 11.608071 | .11661902 |
| 2 | 2s | 4.340133 | -.48827575 |
| 3 | 3s | 2.254258 | 1.16507909 |
| 4 | 4s | 11.601004 | -.01204845 |
| 5 | 5s | 5.080086 | -.04394193 |
| 6 | 4s | 1.912345 | .01180315 |
| 7 | 5s | 31.218253 | .00024566 |
| ORB.ENERGY,a.u. | -2.256000 | ||
| NORM | 1.000000 | < R > | 1.704154 | < R2 > | 3.276658 | < 1/R > | .781770 | < 1/R**2 > | 3.422980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.285900 | 1.26097573 |
| 2 | 3p | 5.022769 | -.35366370 |
| 3 | 2p | 10.285020 | .08772674 |
| 4 | 5p | 79.326627 | .00001132 |
| 5 | 4p | 12.301456 | .01673945 |
| 6 | 5p | 3.120598 | .00086892 |
| ORB.ENERGY,a.u. | -6.797200 | ||
| NORM | 1.000000 | < R > | .508498 | < R2 > | .320790 | < 1/R > | 2.557242 | < 1/R**2 > | 9.133062 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.544963 | .31381955 |
| 2 | 2s | 4.603231 | -.77491269 |
| 3 | 3s | 7.971791 | -.23112355 |
| 4 | 4s | 6.212162 | -.05760176 |
| 5 | 5s | 16.605357 | -.00892846 |
| 6 | 5s | 2.799078 | .00639365 |
| 7 | 4s | 61.669650 | -.00003170 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .544619 | < R2 > | .350491 | < 1/R > | 2.673481 | < 1/R**2 > | 29.343094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.215800 | .91893160 |
| 2 | 1s | 19.540865 | .07709338 |
| 3 | 2s | 8.419004 | .01842167 |
| 4 | 3s | 10.720647 | -.01553355 |
| 5 | 4s | 13.284608 | .00818318 |
| 6 | 5s | 34.000296 | .00100295 |
| 7 | 4s | 85.554509 | -.00002762 |
| 8 | 5s | 3.025381 | -.00047558 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111320 | < R2 > | .016660 | < 1/R > | 13.589479 | < 1/R**2 > | 372.731922 |
Total Energy= -281.37844085 a.u.
Kinetic Energy= 281.35370925 a.u.
Potential Energy= -562.73215010 a.u.
Virial Ratio = -2.00008790