(1s 2 2s 1 4s 1 ) 1 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 9.345936 | .11348158 |
| 2 | 2s | 3.076317 | -1.57244847 |
| 3 | 3s | 2.942531 | 4.56218634 |
| 4 | 4s | 2.833657 | -3.77374847 |
| 5 | 5s | 4.483926 | .24256808 |
| 6 | 4s | 7.586316 | -.08704722 |
| 7 | 5s | 29.954891 | .00082828 |
| 8 | 4s | 43.599182 | .00012309 |
| ORB.ENERGY,a.u. | -4.025600 | ||
| NORM | 1.000001 | < R > | 2.051596 | < R2 > | 4.710599 | < 1/R > | .630598 | < 1/R**2 > | 1.815745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.386179 | .34428403 |
| 2 | 2s | 3.511599 | -.81431632 |
| 3 | 3s | 8.158708 | -.63507511 |
| 4 | 4s | 4.621649 | .53373940 |
| 5 | 5s | 2.762631 | -.15749095 |
| 6 | 5s | 18.321368 | -.00666397 |
| 7 | 4s | 28.691202 | -.00040693 |
| 8 | 4s | 1.799283 | .02992004 |
| 9 | 2s | 50.085796 | .00005117 |
| 10 | 5s | 1.519673 | -.00992307 |
| 11 | 3s | .957967 | .00384089 |
| ORB.ENERGY,a.u. | -18.612000 | ||
| NORM | 1.000000 | < R > | .475457 | < R2 > | .296249 | < 1/R > | 3.207758 | < 1/R**2 > | 41.603782 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408572 | .93661180 |
| 2 | 1s | 21.625517 | .05078767 |
| 3 | 2s | 16.955562 | .01689968 |
| 4 | 3s | 10.698824 | .00190074 |
| 5 | 4s | 54.549700 | -.00054217 |
| 6 | 5s | 72.152450 | .00020115 |
| 7 | 5s | 5.853874 | .00042703 |
| 8 | 4s | 2.389619 | -.00035585 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110253 | < R2 > | .016275 | < 1/R > | 13.674546 | < 1/R**2 > | 376.387203 |
Total Energy= -210.57569480 a.u.
Kinetic Energy= 210.55726901 a.u.
Potential Energy= -421.13296381 a.u.
Virial Ratio = -2.00008751