(1s 2 2s 2 2p 1 5d 1 ) 3 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 2.390269 | 1.33112445 |
| 2 | 4d | 1.957915 | -4.00371674 |
| 3 | 5d | 1.800756 | 3.34445975 |
| 4 | 3d | 5.300092 | .05369254 |
| 5 | 5d | 1.157965 | -.01289566 |
| 6 | 5d | 7.682150 | -.00849785 |
| 7 | 4d | 33.432078 | .00003711 |
| 8 | 4d | .825122 | .00427255 |
| 9 | 3d | 65.343731 | .00000127 |
| ORB.ENERGY,a.u. | -1.668100 | ||
| NORM | .999998 | < R > | 3.713763 | < R2 > | 15.653829 | < 1/R > | .375201 | < 1/R**2 > | .293826 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.649468 | 1.10660442 |
| 2 | 3p | 7.162321 | -.13441661 |
| 3 | 2p | 13.333170 | .01556798 |
| 4 | 5p | 11.637386 | .01161476 |
| 5 | 4p | 2.018542 | -.01151033 |
| 6 | 5p | 17.971818 | .00499259 |
| 7 | 5p | 59.390105 | -.00001758 |
| 8 | 4p | 1.982052 | .01137608 |
| ORB.ENERGY,a.u. | -14.381000 | ||
| NORM | 1.000000 | < R > | .431486 | < R2 > | .225495 | < 1/R > | 2.932358 | < 1/R**2 > | 11.653301 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.152479 | .36493073 |
| 2 | 2s | 5.190629 | -.80554707 |
| 3 | 3s | 7.607904 | -.28146899 |
| 4 | 4s | 26.445970 | .00129666 |
| 5 | 5s | 14.923989 | -.01201902 |
| 6 | 5s | 5.822020 | .01990786 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494245 | < R2 > | .285937 | < 1/R > | 2.961901 | < 1/R**2 > | 35.498842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.164977 | .92609658 |
| 2 | 1s | 20.279613 | .07411714 |
| 3 | 2s | 11.993468 | .01880028 |
| 4 | 3s | 14.845190 | -.01665511 |
| 5 | 4s | 71.655742 | -.00005810 |
| 6 | 5s | 32.453410 | .00090596 |
| 7 | 5s | 8.196677 | .00007067 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649402 | < 1/R**2 > | 375.274497 |
Total Energy= -240.21601714 a.u.
Kinetic Energy= 240.22540979 a.u.
Potential Energy= -480.44142693 a.u.
Virial Ratio = -1.99996090