(1s 2 2s 1 3s 1 ) 1 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 7.452197 | .14561125 |
| 2 | 2s | 4.511224 | -.77523529 |
| 3 | 3s | 3.717656 | 1.65094219 |
| 4 | 4s | 6.884402 | -.16823904 |
| 5 | 5s | 11.180126 | -.00348221 |
| 6 | 4s | 25.230212 | .00083489 |
| 7 | 5s | 3.494954 | -.05631582 |
| 8 | 4s | 3.024327 | .03497547 |
| 9 | 2s | 85.060568 | -.00000192 |
| ORB.ENERGY,a.u. | -7.376100 | ||
| NORM | 1.000000 | < R > | 1.151230 | < R2 > | 1.442017 | < 1/R > | .980662 | < 1/R**2 > | 2.104304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.651896 | .40146630 |
| 2 | 2s | 5.996328 | -.52541103 |
| 3 | 3s | 7.426749 | -.67370210 |
| 4 | 4s | 4.160357 | .33402226 |
| 5 | 5s | 14.760382 | -.01845652 |
| 6 | 4s | 37.599186 | -.00098832 |
| 7 | 3s | 26.207200 | .00442045 |
| 8 | 2s | 54.725048 | .00018416 |
| 9 | 5s | 2.727238 | .01437698 |
| 10 | 3s | 2.220454 | -.02595362 |
| ORB.ENERGY,a.u. | -18.259000 | ||
| NORM | 1.000000 | < R > | .447192 | < R2 > | .254332 | < 1/R > | 3.435566 | < 1/R**2 > | 47.291142 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408061 | .93589282 |
| 2 | 1s | 21.405847 | .05186244 |
| 3 | 2s | 16.551807 | .01658115 |
| 4 | 3s | 9.874174 | .00196865 |
| 5 | 4s | 57.185385 | -.00047529 |
| 6 | 5s | 76.731712 | .00017317 |
| 7 | 5s | 5.747220 | .00027527 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110286 | < R2 > | .016287 | < 1/R > | 13.671957 | < 1/R**2 > | 376.273858 |
Total Energy= -213.91671330 a.u.
Kinetic Energy= 213.89873596 a.u.
Potential Energy= -427.81544926 a.u.
Virial Ratio = -2.00008405