(1s 2 2s 2 3s 1 ) 2 S Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 10.693603 | .22044039 |
| 2 | 2s | 4.078789 | -1.31260128 |
| 3 | 3s | 3.597745 | 1.88605229 |
| 4 | 4s | 7.876807 | -.06957446 |
| 5 | 5s | 14.348169 | -.01262802 |
| 6 | 4s | 27.892781 | .00064166 |
| 7 | 5s | 3.370526 | -.00254909 |
| 8 | 4s | 2.120505 | .00035935 |
| ORB.ENERGY,a.u. | -6.409900 | ||
| NORM | 1.000000 | < R > | 1.182615 | < R2 > | 1.583301 | < 1/R > | 1.219813 | < 1/R**2 > | 8.908788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.053640 | .37868643 |
| 2 | 2s | 5.331610 | -.81319207 |
| 3 | 3s | 7.655837 | -.28751842 |
| 4 | 5s | 14.231307 | -.01509398 |
| 5 | 4s | 28.025119 | .00191844 |
| 6 | 5s | 6.518425 | .03062660 |
| 7 | 5s | 42.827762 | -.00022645 |
| 8 | 4s | 2.614112 | -.00029884 |
| ORB.ENERGY,a.u. | -16.340000 | ||
| NORM | 1.000000 | < R > | .483349 | < R2 > | .273152 | < 1/R > | 3.035447 | < 1/R**2 > | 37.152180 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.194963 | .93365695 |
| 2 | 1s | 21.143544 | .06500267 |
| 3 | 2s | 14.419317 | .01962047 |
| 4 | 3s | 15.889324 | -.01652414 |
| 5 | 5s | 31.554969 | .00102281 |
| 6 | 4s | 70.354364 | -.00006950 |
| 7 | 5s | 4.438497 | -.00005308 |
| ORB.ENERGY,a.u. | -83.326000 |
| NORM | 1.000000 | < R > | .110297 | < R2 > | .016287 | < 1/R > | 13.669088 | < 1/R**2 > | 376.111338 |
Total Energy= -230.21865131 a.u.
Kinetic Energy= 230.21865081 a.u.
Potential Energy= -460.43730212 a.u.
Virial Ratio = -2.00000000