(1s 2 2s 2 2p 2 4p 1 ) 4 D Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 6.443033 | .24958470 |
| 2 | 3p | 1.958500 | -.50298680 |
| 3 | 5p | 2.355048 | 1.35112364 |
| 4 | 4p | 3.537466 | -.63986276 |
| 5 | 5p | 8.211747 | .02485130 |
| 6 | 4p | 19.714307 | -.00247587 |
| 7 | 5p | 2.067331 | .23335734 |
| 8 | 5p | 45.320007 | -.00022596 |
| 9 | 4p | 70.581467 | -.00004197 |
| ORB.ENERGY,a.u. | -2.258400 | ||
| NORM | 1.000000 | < R > | 2.549782 | < R2 > | 7.352454 | < 1/R > | .554673 | < 1/R**2 > | .871942 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.288153 | 1.19162370 |
| 2 | 3p | 6.359155 | -.20928161 |
| 3 | 2p | 13.361129 | .02052868 |
| 4 | 4p | 14.217018 | .00522728 |
| 5 | 5p | 30.933635 | -.00026172 |
| 6 | 5p | 6.443102 | -.00899660 |
| 7 | 4p | 1.651277 | -.00044325 |
| ORB.ENERGY,a.u. | -12.387000 | ||
| NORM | 1.000000 | < R > | .446554 | < R2 > | .242546 | < 1/R > | 2.847048 | < 1/R**2 > | 11.044808 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.199586 | .40129274 |
| 2 | 2s | 5.949096 | -.84526141 |
| 3 | 3s | 6.157708 | -.27713582 |
| 4 | 4s | 23.585564 | .00229282 |
| 5 | 3s | 12.991576 | .01886388 |
| 6 | 5s | 6.176062 | -.03657229 |
| 7 | 4s | 1.743783 | .00016595 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507171 | < R2 > | .301823 | < 1/R > | 2.881748 | < 1/R**2 > | 33.744525 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.161132 | .92628060 |
| 2 | 1s | 20.403268 | .07282664 |
| 3 | 2s | 12.130961 | .01942406 |
| 4 | 3s | 15.604916 | -.01547432 |
| 5 | 5s | 32.730656 | .00104692 |
| 6 | 4s | 78.247735 | -.00004082 |
| 7 | 5s | 10.451702 | .00042536 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110802 | < R2 > | .016468 | < 1/R > | 13.629067 | < 1/R**2 > | 374.405770 |
Total Energy= -253.69826421 a.u.
Kinetic Energy= 253.71954815 a.u.
Potential Energy= -507.41781236 a.u.
Virial Ratio = -1.99991611