(1s 2 2s 2 2p 1 4d 1 ) 3 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 2.730692 | 1.15682859 |
| 2 | 4d | 2.256247 | -1.67981904 |
| 3 | 3d | 5.662795 | .04598808 |
| 4 | 5d | 1.673274 | .02122807 |
| 5 | 4d | 19.923112 | .00051472 |
| 6 | 5d | 12.974150 | .00288406 |
| 7 | 3d | 28.138098 | .00005441 |
| 8 | 4d | 1.444003 | -.01805806 |
| ORB.ENERGY,a.u. | -2.626200 | ||
| NORM | 1.000000 | < R > | 2.235215 | < R2 > | 5.721523 | < 1/R > | .594472 | < 1/R**2 > | .585786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.674484 | 1.08529298 |
| 2 | 3p | 7.019610 | -.10513131 |
| 3 | 2p | 14.124075 | .01418999 |
| 4 | 5p | 17.047597 | .00324121 |
| 5 | 5p | 3.204084 | -.00164042 |
| 6 | 4p | 5.414934 | .00906111 |
| 7 | 5p | 43.215783 | -.00005239 |
| ORB.ENERGY,a.u. | -14.183000 | ||
| NORM | 1.000000 | < R > | .432252 | < R2 > | .226343 | < 1/R > | 2.928071 | < 1/R**2 > | 11.623433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.159502 | .36428713 |
| 2 | 2s | 5.180527 | -.80554031 |
| 3 | 3s | 7.629735 | -.28090687 |
| 4 | 4s | 26.305804 | .00135212 |
| 5 | 5s | 14.915276 | -.01172502 |
| 6 | 5s | 5.763739 | .01922785 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494675 | < R2 > | .286477 | < 1/R > | 2.959266 | < 1/R**2 > | 35.439839 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.165274 | .92613675 |
| 2 | 1s | 20.278042 | .07409065 |
| 3 | 2s | 11.980571 | .01878066 |
| 4 | 3s | 14.838304 | -.01665166 |
| 5 | 4s | 71.708468 | -.00005797 |
| 6 | 5s | 32.448357 | .00090770 |
| 7 | 5s | 8.199981 | .00007295 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110545 | < R2 > | .016376 | < 1/R > | 13.649454 | < 1/R**2 > | 375.277027 |
Total Energy= -241.16226302 a.u.
Kinetic Energy= 241.18351116 a.u.
Potential Energy= -482.34577418 a.u.
Virial Ratio = -1.99991190