(1s 2 2s 2 2p 6 5d 1 ) 2 D Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 1.033333 | 1.48162311 |
| 2 | 4d | .881558 | -4.05183068 |
| 3 | 5d | .799771 | 3.22707880 |
| 4 | 3d | 2.969026 | .11368124 |
| 5 | 4d | 3.769162 | -.06426210 |
| 6 | 5d | 7.389350 | -.00263228 |
| 7 | 3d | 14.230586 | .00006735 |
| 8 | 4d | .335659 | -.00119671 |
| ORB.ENERGY,a.u. | -.329000 | ||
| NORM | .999992 | < R > | 8.338809 | < R2 > | 79.167112 | < 1/R > | .170403 | < 1/R**2 > | .064009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.351482 | .46627999 |
| 2 | 3p | 5.592773 | .50363136 |
| 3 | 4p | 4.346036 | .18751924 |
| 4 | 5p | 3.206576 | .03498881 |
| 5 | 2p | 15.392480 | .00644525 |
| 6 | 5p | 31.565276 | -.00029623 |
| 7 | 3p | 2.685282 | -.07860340 |
| 8 | 4p | 42.771786 | -.00005342 |
| 9 | 4p | .683434 | .00002304 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .530786 | < R2 > | .352186 | < 1/R > | 2.471065 | < 1/R**2 > | 8.605555 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.465721 | .34872043 |
| 2 | 2s | 5.544260 | -.82244853 |
| 3 | 3s | 4.625411 | -.30983901 |
| 4 | 4s | 18.497024 | .00696927 |
| 5 | 3s | 20.223266 | .00291129 |
| 6 | 4s | 1.637786 | -.03598889 |
| 7 | 5s | 36.829479 | .00020377 |
| 8 | 5s | 1.895834 | .01836003 |
| 9 | 2s | 92.424467 | .00000128 |
| 10 | 3s | 1.376758 | .01791617 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561605 | < R2 > | .375062 | < 1/R > | 2.595278 | < 1/R**2 > | 27.781235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587685 | 1.01394854 |
| 2 | 2s | 19.346293 | -.02228469 |
| 3 | 3s | 9.846790 | .02001331 |
| 4 | 4s | 54.148749 | -.00039345 |
| 5 | 4s | 10.869102 | .00268220 |
| 6 | 5s | 70.821214 | .00012115 |
| 7 | 5s | 11.917944 | -.00860557 |
| 8 | 2s | 171.762537 | .00000110 |
| 9 | 2s | 4.806512 | .00071045 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.582044 | < 1/R**2 > | 372.423039 |
Total Energy= -285.51102164 a.u.
Kinetic Energy= 285.50995245 a.u.
Potential Energy= -571.02097410 a.u.
Virial Ratio = -2.00000374