(1s 2 2s 2 2p 4 3p 1 ) 2 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2231.
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 | 3p- electron | |
| 1 | 2p | 4.244747 | .35553828 |
| 2 | 3p | 2.344399 | -.87418020 |
| 3 | 4p | 2.768877 | -.21561590 |
| 4 | 2p | 8.390773 | .08564370 |
| 5 | 5p | 12.609688 | .00387754 |
| 6 | 5p | 32.676201 | -.00040251 |
| 7 | 4p | 49.171546 | -.00007480 |
| 8 | 5p | 2.373396 | -.02963896 |
| ORB.ENERGY,a.u. | -2.578800 | ||
| NORM | 1.000000 | < R > | 1.619446 | < R2 > | 2.988264 | < 1/R > | .819813 | < 1/R**2 > | 1.430977 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.679832 | 1.18406636 |
| 2 | 3p | 5.512860 | -.25410451 |
| 3 | 2p | 10.732747 | .06794157 |
| 4 | 4p | 12.389185 | .01328224 |
| 5 | 5p | 34.913930 | -.00014500 |
| 6 | 5p | 2.599905 | -.00140685 |
| ORB.ENERGY,a.u. | -8.177600 | ||
| NORM | 1.000000 | < R > | .484462 | < R2 > | .288519 | < 1/R > | 2.658156 | < 1/R**2 > | 9.770392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.344039 | .37249474 |
| 2 | 2s | 5.735181 | -.83918634 |
| 3 | 3s | 5.177562 | -.29539029 |
| 4 | 4s | 16.406396 | .01021966 |
| 5 | 3s | 20.416223 | .00495658 |
| 6 | 5s | 28.410237 | .00089668 |
| 7 | 5s | 4.682929 | -.00692387 |
| 8 | 2s | 59.216466 | .00002441 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .534720 | < R2 > | .337654 | < 1/R > | 2.727530 | < 1/R**2 > | 30.472212 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.202918 | .91807626 |
| 2 | 1s | 19.504001 | .07890533 |
| 3 | 2s | 8.269035 | .01920355 |
| 4 | 3s | 10.161924 | -.01927513 |
| 5 | 4s | 12.438637 | .00942178 |
| 6 | 5s | 33.716148 | .00088465 |
| 7 | 4s | 77.810038 | -.00003704 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111189 | < R2 > | .016610 | < 1/R > | 13.599172 | < 1/R**2 > | 373.139716 |
Total Energy= -274.20489397 a.u.
Kinetic Energy= 274.19374425 a.u.
Potential Energy= -548.39863822 a.u.
Virial Ratio = -2.00004066