(1s 2 5d 1 ) 2 D Si 11+
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 | 2.403003 | 3.53424821 |
| 2 | 4d | 2.402134 | -8.81377077 |
| 3 | 5d | 2.400815 | 5.97398912 |
| 4 | 3d | 9.498622 | .00116706 |
| 5 | 5d | 15.399080 | -.00049889 |
| 6 | 4d | 44.402427 | .00001476 |
| ORB.ENERGY,a.u. | -2.882100 | ||
| NORM | .999997 | < R > | 2.873690 | < R2 > | 9.366947 | < 1/R > | .480412 | < 1/R**2 > | .462259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.417994 | .93603607 |
| 2 | 1s | 21.374470 | .05195353 |
| 3 | 2s | 16.603266 | .01709229 |
| 4 | 3s | 12.394558 | .00057352 |
| 5 | 4s | 46.479002 | -.00076698 |
| 6 | 5s | 56.926377 | .00025776 |
| 7 | 3s | 79.169185 | -.00003487 |
| ORB.ENERGY,a.u. | -89.050000 |
| NORM | 1.000000 | < R > | .110100 | < R2 > | .016219 | < 1/R > | 13.687346 | < 1/R**2 > | 376.965545 |
Total Energy= -190.24515843 a.u.
Kinetic Energy= 190.24200021 a.u.
Potential Energy= -380.48715864 a.u.
Virial Ratio = -2.00001660