(1s 2 2s 2 2p 1 5d 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.339355 | 1.45385817 |
| 2 | 4d | 1.927902 | -4.35176409 |
| 3 | 5d | 1.795667 | 3.60472010 |
| 4 | 3d | 5.445101 | .03626818 |
| 5 | 5d | 8.250556 | -.00555655 |
| 6 | 5d | 1.428015 | -.02092038 |
| 7 | 4d | 28.246088 | .00006368 |
| 8 | 3d | 43.703601 | .00000517 |
| ORB.ENERGY,a.u. | -1.655200 | ||
| NORM | 1.000002 | < R > | 3.743389 | < R2 > | 15.912065 | < 1/R > | .372314 | < 1/R**2 > | .287028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.642563 | 1.10767802 |
| 2 | 3p | 7.000234 | -.12793542 |
| 3 | 2p | 13.981131 | .01419875 |
| 4 | 5p | 11.890051 | .00594068 |
| 5 | 4p | 3.522005 | .00256108 |
| 6 | 5p | 18.346638 | .00354571 |
| 7 | 5p | 3.606672 | .00560461 |
| 8 | 4p | 3.122882 | -.00747406 |
| ORB.ENERGY,a.u. | -14.369000 | ||
| NORM | 1.000000 | < R > | .431342 | < R2 > | .225412 | < 1/R > | 2.933675 | < 1/R**2 > | 11.663643 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.152401 | .36493736 |
| 2 | 2s | 5.190569 | -.80557663 |
| 3 | 3s | 7.609114 | -.28148507 |
| 4 | 4s | 26.409887 | .00130971 |
| 5 | 5s | 14.922275 | -.01196597 |
| 6 | 5s | 5.821527 | .01988533 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494244 | < R2 > | .285937 | < 1/R > | 2.961919 | < 1/R**2 > | 35.499413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.164997 | .92610571 |
| 2 | 1s | 20.280945 | .07410315 |
| 3 | 2s | 11.996815 | .01880654 |
| 4 | 3s | 14.847976 | -.01665561 |
| 5 | 4s | 71.648584 | -.00005813 |
| 6 | 5s | 32.451219 | .00090593 |
| 7 | 5s | 8.196897 | .00007087 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649381 | < 1/R**2 > | 375.273568 |
Total Energy= -240.21606933 a.u.
Kinetic Energy= 240.21260514 a.u.
Potential Energy= -480.42867448 a.u.
Virial Ratio = -2.00001442