(1s 2 2s 1 5s 1 ) 1 S Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.598550 | .98754999 |
| 2 | 2s | 1.873592 | -8.67489997 |
| 3 | 3s | 2.782087 | 9.26252252 |
| 4 | 4s | 2.163264 | -8.46400356 |
| 5 | 5s | 2.224587 | 8.38243376 |
| 6 | 5s | 7.258947 | -.01137139 |
| 7 | 1s | 15.093161 | .01063597 |
| 8 | 4s | 1.402280 | -.02213263 |
| 9 | 5s | 34.200616 | .00022676 |
| 10 | 5s | 1.124216 | .00238724 |
| ORB.ENERGY,a.u. | -2.540300 | ||
| NORM | .999998 | < R > | 3.249443 | < R2 > | 11.817968 | < 1/R > | .419730 | < 1/R**2 > | 1.128074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.207798 | .34515194 |
| 2 | 2s | 3.584032 | -.83779395 |
| 3 | 3s | 8.265333 | -.58894619 |
| 4 | 4s | 4.654287 | .48188292 |
| 5 | 5s | 1.900876 | .81266224 |
| 6 | 5s | 20.514725 | -.00338937 |
| 7 | 4s | 1.638108 | -.97896602 |
| 8 | 4s | 34.145597 | -.00153470 |
| 9 | 3s | 1.267367 | .18054430 |
| 10 | 3s | 48.810214 | -.00051837 |
| 11 | 2s | 73.413657 | -.00005211 |
| ORB.ENERGY,a.u. | -18.818000 | ||
| NORM | 1.000000 | < R > | .475962 | < R2 > | .294340 | < 1/R > | 3.158538 | < 1/R**2 > | 40.281808 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.408672 | .93662005 |
| 2 | 1s | 21.510227 | .05120556 |
| 3 | 2s | 16.714864 | .01664644 |
| 4 | 3s | 9.707468 | .00180644 |
| 5 | 4s | 54.956001 | -.00052458 |
| 6 | 5s | 72.822187 | .00019359 |
| 7 | 5s | 5.448149 | .00261113 |
| 8 | 4s | 4.331977 | -.00264879 |
| 9 | 3s | 1.071003 | .00025377 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110247 | < R2 > | .016273 | < 1/R > | 13.675039 | < 1/R**2 > | 376.409609 |
Total Energy= -209.08570766 a.u.
Kinetic Energy= 209.07517135 a.u.
Potential Energy= -418.16087901 a.u.
Virial Ratio = -2.00005039