(1s 2 2s 2 2p 6 5s 1 ) 2 S Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 11.816519 | .03929082 |
| 2 | 2s | 4.010941 | -.18962775 |
| 3 | 3s | 1.740867 | .85906518 |
| 4 | 4s | 1.161775 | -2.30481395 |
| 5 | 5s | .966890 | 2.20608674 |
| 6 | 5s | 7.350544 | .01416469 |
| 7 | 4s | 12.534073 | -.00366491 |
| ORB.ENERGY,a.u. | -.447520 | ||
| NORM | .999999 | < R > | 6.732729 | < R2 > | 50.769625 | < 1/R > | .208111 | < 1/R**2 > | .417097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.352043 | .46604521 |
| 2 | 3p | 5.592826 | .50382755 |
| 3 | 4p | 4.345644 | .18760263 |
| 4 | 5p | 3.210875 | .03492487 |
| 5 | 2p | 15.388266 | .00645013 |
| 6 | 5p | 31.539257 | -.00029729 |
| 7 | 3p | 2.685854 | -.07862332 |
| 8 | 4p | 42.702948 | -.00005415 |
| 9 | 4p | .933375 | .00006158 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .530867 | < R2 > | .352286 | < 1/R > | 2.470674 | < 1/R**2 > | 8.602933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.462865 | .34888895 |
| 2 | 2s | 5.542107 | -.82364776 |
| 3 | 3s | 4.615499 | -.31077598 |
| 4 | 4s | 18.444483 | .00661257 |
| 5 | 3s | 19.434887 | .00317909 |
| 6 | 4s | 2.017899 | -.01786137 |
| 7 | 5s | 37.698257 | .00022264 |
| 8 | 5s | 2.238596 | .01387257 |
| 9 | 3s | 2.681076 | .00709189 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561542 | < R2 > | .374966 | < 1/R > | 2.595545 | < 1/R**2 > | 27.786586 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587641 | 1.01394920 |
| 2 | 2s | 19.346607 | -.02228537 |
| 3 | 3s | 9.845664 | .02001640 |
| 4 | 4s | 54.157673 | -.00039330 |
| 5 | 4s | 10.869260 | .00268193 |
| 6 | 5s | 70.794660 | .00012118 |
| 7 | 5s | 11.917134 | -.00860674 |
| 8 | 2s | 172.714392 | .00000109 |
| 9 | 2s | 4.808825 | .00070964 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581994 | < 1/R**2 > | 372.420598 |
Total Energy= -285.62797989 a.u.
Kinetic Energy= 285.62798900 a.u.
Potential Energy= -571.25596890 a.u.
Virial Ratio = -1.99999997