(1s 2 2s 2 2p 2 5d 1 ) 2 P Si 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 2.058218 | 1.47429913 |
| 2 | 4d | 1.762623 | -4.07469899 |
| 3 | 5d | 1.601545 | 3.25362634 |
| 4 | 3d | 4.755189 | .06234709 |
| 5 | 5d | 7.439970 | -.01276958 |
| 6 | 4d | 21.555451 | .00016317 |
| 7 | 5d | 1.136415 | -.00620635 |
| 8 | 5d | 57.836051 | .00001171 |
| 9 | 3d | 63.134154 | .00000229 |
| ORB.ENERGY,a.u. | -1.318900 | ||
| NORM | 1.000000 | < R > | 4.172318 | < R2 > | 19.773455 | < 1/R > | .335295 | < 1/R**2 > | .236484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.301599 | 1.17622155 |
| 2 | 3p | 6.343852 | -.19615011 |
| 3 | 2p | 13.626279 | .02032189 |
| 4 | 4p | 15.478711 | .00743238 |
| 5 | 5p | 22.712460 | -.00114938 |
| 6 | 5p | 6.352234 | -.00634425 |
| 7 | 4p | 60.043464 | .00003353 |
| ORB.ENERGY,a.u. | -12.563000 | ||
| NORM | 1.000000 | < R > | .446454 | < R2 > | .242398 | < 1/R > | 2.847327 | < 1/R**2 > | 11.046108 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.235214 | .39977591 |
| 2 | 2s | 5.921125 | -.84563652 |
| 3 | 3s | 6.122734 | -.27721642 |
| 4 | 4s | 23.015500 | .00235301 |
| 5 | 3s | 13.566172 | .01554989 |
| 6 | 5s | 6.098505 | -.02961451 |
| ORB.ENERGY,a.u. | -11.734000 | ||
| NORM | 1.000000 | < R > | .506692 | < R2 > | .301219 | < 1/R > | 2.884559 | < 1/R**2 > | 33.804799 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162418 | .92626219 |
| 2 | 1s | 20.400832 | .07282856 |
| 3 | 2s | 12.167301 | .01940159 |
| 4 | 3s | 15.599735 | -.01547538 |
| 5 | 5s | 32.779211 | .00104672 |
| 6 | 4s | 78.238197 | -.00004195 |
| 7 | 5s | 10.231337 | .00044925 |
| ORB.ENERGY,a.u. | -76.297000 |
| NORM | 1.000000 | < R > | .110786 | < R2 > | .016462 | < 1/R > | 13.630417 | < 1/R**2 > | 374.464566 |
Total Energy= -252.77980013 a.u.
Kinetic Energy= 252.78118438 a.u.
Potential Energy= -505.56098451 a.u.
Virial Ratio = -1.99999452