(1s 2 2s 2 2p 5 5p 1 ) 3 P Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 4.667323 | .20891886 |
| 2 | 3p | 2.266331 | -1.90424978 |
| 3 | 4p | 1.878724 | 4.60534551 |
| 4 | 5p | 1.717026 | -3.36350387 |
| 5 | 5p | 15.728146 | .00184978 |
| 6 | 2p | 9.882444 | .04982682 |
| 7 | 5p | 1.572400 | -.15978408 |
| 8 | 4p | 36.822688 | -.00012457 |
| ORB.ENERGY,a.u. | -1.453200 | ||
| NORM | .999998 | < R > | 4.018920 | < R2 > | 18.161596 | < 1/R > | .357841 | < 1/R**2 > | .473761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883929 | 1.18472989 |
| 2 | 3p | 6.941068 | -.25160399 |
| 3 | 2p | 13.023858 | .06658219 |
| 4 | 4p | 15.779801 | .00945152 |
| 5 | 5p | 39.396582 | -.00013858 |
| 6 | 5p | 3.712516 | .00038190 |
| 7 | 4p | 1.124355 | -.00012894 |
| ORB.ENERGY,a.u. | -14.314000 | ||
| NORM | 1.000000 | < R > | .387009 | < R2 > | .184045 | < 1/R > | 3.323789 | < 1/R**2 > | 15.244785 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.609400 | .39167793 |
| 2 | 2s | 7.169936 | -.84297648 |
| 3 | 3s | 6.485887 | -.30517431 |
| 4 | 4s | 18.194527 | .00540526 |
| 5 | 3s | 20.605926 | .00680855 |
| 6 | 5s | 35.343423 | .00059616 |
| 7 | 5s | 5.592150 | -.00334893 |
| 8 | 4s | 3.744336 | .00152316 |
| 9 | 3s | 2.579437 | -.00050190 |
| 10 | 2s | 84.691552 | .00000933 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429484 | < R2 > | .217462 | < 1/R > | 3.408058 | < 1/R**2 > | 47.578051 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.183630 | .92695719 |
| 2 | 1s | 23.718934 | .06885787 |
| 3 | 2s | 10.132842 | .02132560 |
| 4 | 3s | 12.560177 | -.02160905 |
| 5 | 4s | 15.574035 | .01061845 |
| 6 | 5s | 40.387559 | .00069915 |
| 7 | 4s | 93.253764 | -.00003798 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091155 | < R2 > | .011158 | < 1/R > | 16.575899 | < 1/R**2 > | 553.820564 |
Total Energy= -433.46155590 a.u.
Kinetic Energy= 433.45800142 a.u.
Potential Energy= -866.91955732 a.u.
Virial Ratio = -2.00000820