(1s 2 2s 2 2p 5 5d 1 ) 1 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.985903 | 1.69594856 |
| 2 | 4d | 1.648455 | -5.38095019 |
| 3 | 5d | 1.595223 | 4.45420272 |
| 4 | 3d | 5.542122 | .02416178 |
| 5 | 5d | 8.164625 | -.00874257 |
| 6 | 4d | 15.202025 | .00092577 |
| 7 | 5d | 1.379914 | -.03848532 |
| 8 | 3d | 20.423095 | .00020531 |
| ORB.ENERGY,a.u. | -1.292200 | ||
| NORM | .999997 | < R > | 4.261284 | < R2 > | 20.633883 | < 1/R > | .327873 | < 1/R**2 > | .223037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.885406 | 1.18066312 |
| 2 | 3p | 6.935529 | -.24844218 |
| 3 | 2p | 12.995610 | .06751120 |
| 4 | 4p | 15.763950 | .00959440 |
| 5 | 5p | 3.921343 | .00055378 |
| 6 | 5p | 39.274086 | -.00014024 |
| ORB.ENERGY,a.u. | -14.281000 | ||
| NORM | 1.000000 | < R > | .386880 | < R2 > | .183923 | < 1/R > | 3.324804 | < 1/R**2 > | 15.253350 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.610736 | .39167048 |
| 2 | 2s | 7.169626 | -.84264252 |
| 3 | 3s | 6.487236 | -.30515046 |
| 4 | 4s | 18.393949 | .00515690 |
| 5 | 3s | 20.558648 | .00673993 |
| 6 | 5s | 35.693014 | .00057400 |
| 7 | 5s | 5.689618 | -.00332167 |
| 8 | 4s | 4.054734 | .00126371 |
| 9 | 3s | 2.906324 | -.00033800 |
| 10 | 2s | 85.906561 | .00000856 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429442 | < R2 > | .217422 | < 1/R > | 3.408472 | < 1/R**2 > | 47.589027 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183827 | .92696137 |
| 2 | 1s | 23.721210 | .06885073 |
| 3 | 2s | 10.143421 | .02130256 |
| 4 | 3s | 12.569277 | -.02159389 |
| 5 | 4s | 15.577403 | .01061149 |
| 6 | 5s | 40.702493 | .00070423 |
| 7 | 4s | 92.530834 | -.00003438 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091152 | < R2 > | .011157 | < 1/R > | 16.576319 | < 1/R**2 > | 553.842883 |
Total Energy= -433.32891975 a.u.
Kinetic Energy= 433.29778826 a.u.
Potential Energy= -866.62670802 a.u.
Virial Ratio = -2.00007185