(1s 2 2s 2 2p 2 4d 1 ) 2 F Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | 2.310682 | 1.33162982 |
| 2 | 4d | 1.995049 | -1.83906134 |
| 3 | 3d | 5.334151 | .04194587 |
| 4 | 5d | 7.816147 | -.01022079 |
| 5 | 5d | 1.670984 | .00578676 |
| 6 | 4d | 16.092942 | .00011746 |
| 7 | 3d | 18.851771 | .00012616 |
| ORB.ENERGY,a.u. | -2.041100 | ||
| NORM | 1.000001 | < R > | 2.556827 | < R2 > | 7.496223 | < 1/R > | .520459 | < 1/R**2 > | .447331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.346849 | 1.16235918 |
| 2 | 3p | 6.409657 | -.18426119 |
| 3 | 2p | 13.497020 | .01975475 |
| 4 | 4p | 14.608809 | .00454739 |
| 5 | 5p | 30.638952 | -.00028695 |
| 6 | 5p | 3.398056 | .00073556 |
| ORB.ENERGY,a.u. | -12.326000 | ||
| NORM | 1.000000 | < R > | .446448 | < R2 > | .242443 | < 1/R > | 2.847697 | < 1/R**2 > | 11.049478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.234437 | .39954050 |
| 2 | 2s | 5.921760 | -.84521265 |
| 3 | 3s | 6.110069 | -.27718397 |
| 4 | 4s | 22.817390 | .00235641 |
| 5 | 3s | 13.671863 | .01528300 |
| 6 | 5s | 6.084627 | -.03008579 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .507060 | < R2 > | .301704 | < 1/R > | 2.882527 | < 1/R**2 > | 33.761115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162257 | .92626888 |
| 2 | 1s | 20.402921 | .07282251 |
| 3 | 2s | 12.172738 | .01939798 |
| 4 | 3s | 15.603506 | -.01547412 |
| 5 | 5s | 32.812913 | .00104589 |
| 6 | 4s | 78.159632 | -.00004096 |
| 7 | 5s | 10.235187 | .00045432 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016463 | < 1/R > | 13.630398 | < 1/R**2 > | 374.463910 |
Total Energy= -253.53261142 a.u.
Kinetic Energy= 253.50338354 a.u.
Potential Energy= -507.03599496 a.u.
Virial Ratio = -2.00011530